Re: [Rdkit-discuss] name generator

[Markus S. <sit...@he...>]

Yes, in this direction (structure to name) the Resolver is only a database  
lookup,
in the other direction (name to structure), it first uses OPSIN (Daniel  
Lowe's library)
which can resolve correct IUPAC names generically, if OPSIN "fails" it  
does a database
lookup, too.

Markus



>> Not sure what software is behind it, but the NCI's Chemical Identifier  
>> Resolver may suit your needs.
>>
>>>> For your example, the URL:
>>
>>>> http://cactus.nci.nih.gov/chemical/structure/CC(C)O/iupac_name
>>
>> returns Propan-2-ol
>>
>> -David
>>
>> On Aug 27, 2013, at 11:54 AM, Sergio Martinez Cuesta  
>> <ser...@gm...> wrote:
>>
>>> thanks Greg,