[2-(oxidanylidenemethylidene)piperidin-1-yl] 4-(6-cyano-1-ethyl-indol-2-yl)-2-pyrrolidin-2-yl-butanoate

Systemtic Name: [2-(oxidanylidenemethylidene)piperidin-1-yl] 4-(6-cyano-1-ethyl-indol-2-yl)-2-pyrrolidin-2-yl-butanoate Openeye Name: [2-(oxomethylene)-1-piperidyl] 4-(6-cyano-1-ethyl-indol-2-yl)-2-pyrrolidin-2-yl-butanoate CAS Name: 4-(6-cyano-1-ethyl-2-indolyl)-2-(2-pyrrolidinyl)butanoic acid [2-(oxomethylidene)-1-piperidinyl] ester IUPAC Name: [2-(oxomethylidene)piperidin-1-yl] 4-(6-cyano-1-ethylindol-2-yl)-2-pyrrolidin-2-ylbutanoate Traditional Name: 4-(6-cyano-1-ethyl-indol-2-yl)-2-pyrrolidin-2-yl-butyric acid [2-(ketomethylene)piperidino] ester Formula: C25H30N4O3 MolecularWeight: 434.5307

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC2=C1C=C(C=C2)C#N)CCC(C3CCCN3)C(=O)ON4CCCCC4=C=O

Isomeric SMILES

CCN1C(=CC2=C1C=C(C=C2)C#N)CCC(C3CCCN3)C(=O)ON4CCCCC4=C=O

InChI

InChI=1S/C25H30N4O3/c1-2-28-20(15-19-9-8-18(16-26)14-24(19)28)10-11-22(23-7-5-12-27-23)25(31)32-29-13-4-3-6-21(29)17-30/h8-9,14-15,22-23,27H,2-7,10-13H2,1H3