[2-[(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl] 1-ethanoyl-4-phenyl-piperidine-4-carboxylate

Systemtic Name: [2-[(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl] 1-ethanoyl-4-phenyl-piperidine-4-carboxylate Openeye Name: [2-[(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-oxo-ethyl] 1-acetyl-4-phenyl-piperidine-4-carboxylate CAS Name: 1-acetyl-4-phenyl-4-piperidinecarboxylic acid [2-[(3-cyano-1-cyclopentyl-4,5-dimethyl-2-pyrrolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)amino]-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate Traditional Name: 1-acetyl-4-phenyl-isonipecotic acid [2-[(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-keto-ethyl] ester Formula: C28H34N4O4 MolecularWeight: 490.59396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)COC(=O)C2(CCN(CC2)C(=O)C)C3=CC=CC=C3)C4CCCC4)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)COC(=O)C2(CCN(CC2)C(=O)C)C3=CC=CC=C3)C4CCCC4)C

InChI

InChI=1S/C28H34N4O4/c1-19-20(2)32(23-11-7-8-12-23)26(24(19)17-29)30-25(34)18-36-27(35)28(22-9-5-4-6-10-22)13-15-31(16-14-28)21(3)33/h4-6,9-10,23H,7-8,11-16,18H2,1-3H3,(H,30,34)