Product/Service

Name™: Generate IUPAC Names From Chemical Structures

Source: ACD/Labs
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Get Systematic Chemical Names for Structures, and Produce Structures from Names

ACD/Name generates chemical names according to IUPAC rules, converts chemical names to structures, and easily handles challenging areas of nomenclature.

  • Generate names for organic; biochemical; and some inorganic, organometallic, and polymer structures
  • Convert systematic or trivial names to structures
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Benefits

IUPAC Naming at Your Fingertips

Easy to Use

  • Name your molecule with one button click

Exhaustive Coverage

  • Generate names and structures for a broad array of molecules

Chemically Aware

  • Identifies tautomers and stereocenters automatically

Accurate and Up-to-Date Implementation of IUPAC Rules

  • Name is updated regularly to support new recommendations.

Deeper Understanding of Nomenclature Rules

  • Highlight each fragment of your structure to view the applicable IUPAC rule

How it Works

Name Molecules with Ease and Accuracy

  • Draw or import a structure
  • Generate the IUPAC name
  • Examine the generated name and references to the IUPAC rule from which the structure was derived

Product Features

Features of Name

  • Chemical Structure to Name
  • Chemical Name to Structure
  • Naming Supported in 22 Languages

Name (Chemist Version)

Quick and simple generation of IUPAC names

For scientists that don’t need the advanced functionality of ACD/Name, we offer ACD/Name (Chemist Version). All versions of Name include ChemSketch.

This software generates IUPAC names from structures, and structures from names; without the advanced functionality, language options, and rule derivations required by nomenclature experts.

All prices in USD. Exchange rate fluctuations may occur. If you prefer to purchase in your local currency, please contact us for a quote.

Register with an academic email address to see discounted prices or contact us to discuss your eligibility.

  • Subscription License (Maintenance included, billed annually until cancelled) – $475.00

Deployment/Integration Options

Need to Name Hundreds or Thousands of Compounds?

For researchers who need to generate names for compound libraries, or process hundreds of structures for compound registration, we offer ACD/Name Batch and ACD/Name to Structure Batch.

  • Generate names for thousands of structures in one session
  • Select between different languages for generating IUPAC names
  • Process text files and databases in SD Format
  • Generate InChI identifiers
  • Save the generated names to .sdf, .rtf, or .txt files
  • Available for Windows or Linus operating systems

ChemSketch is included with Name for all your structure drawing needs.

Start in the ChemSketch interface to draw or import a structure, and quickly generate the IUPAC name for your drawn structure with one button click.

More Reasons to Use Name

IUPAC Nomenclature Rules

The IUPAC Recommendations on the Nomenclature of Organic Chemistry (IUPAC Blue Book)1 provide naming principles for all classes of organic compounds, and continue to evolve.

In 2013, a new version of the IUPAC Blue Book was published, which included a variety of changes and new recommendations to keep pace with the growing complexity of chemical substances.

The most significant change was the concept of “Preferred IUPAC Name” (PIN), established by a hierarchical order of criteria allowing the derivation of a unique systematic name intended for registrations, patents, regulations, etc.

Additionally, this publication included nomenclature principles developed for more complex substances and new classes of compounds such as fullerenes and cyclophanes.

The majority of the updated IUPAC organic nomenclature recommendations have been implemented in ACD/Name v2015 and later. The full text of these recommendations is available in the print version1 and in HTML format2. We hope to make these recommendations available in our ACD/Name software in the future.

Previous published versions of the IUPAC Nomenclature Rules (from 1979 and 1993) are provided electronically on our web site here.

Our Contribution

ACD/Labs is proud of our participation in the development of new organic nomenclature recommendations both via our long membership in the corresponding IUPAC bodies and our contribution of the results of our work in the area of nomenclature. We continue to update our Name software to support these new recommendations.

References

  1. Favre, Henri A. and Powell, Warren H. Nomenclature of Organic Chemistry. IUPAC Recommendations and Preferred Name 2013. Cambridge, UK: The Royal Society of Chemistry, 2013. ISBN 978-0-85404-182-4.
  2. Moss, G.P. (2021, June 18). Nomenclature of Organic Chemistry. IUPAC Recommendations and Preferred Names 2013. https://www.qmul.ac.uk/sbcs/iupac/BlueBook/

ACD/Labs