[2-[(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl] (3S)-1-(4-ethoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [2-[(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl] (3S)-1-(4-ethoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-[(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-oxo-ethyl] (3S)-1-(4-ethoxyphenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(4-ethoxyphenyl)-5-oxo-3-pyrrolidinecarboxylic 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] (3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-5-keto-1-p-phenetyl-pyrrolidine-3-carboxylic acid [2-[(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-keto-ethyl] ester Formula: C27H32N4O5 MolecularWeight: 492.56678

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)OCC(=O)NC3=C(C(=C(N3C4CCCC4)C)C)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C[C@H](CC2=O)C(=O)OCC(=O)NC3=C(C(=C(N3C4CCCC4)C)C)C#N

InChI

InChI=1S/C27H32N4O5/c1-4-35-22-11-9-20(10-12-22)30-15-19(13-25(30)33)27(34)36-16-24(32)29-26-23(14-28)17(2)18(3)31(26)21-7-5-6-8-21/h9-12,19,21H,4-8,13,15-16H2,1-3H3,(H,29,32)/t19-/m0/s1