[2-[(2,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] (3S)-5-oxidanylidene-1-phenyl-pyrrolidine-3-carboxylate

Systemtic Name: [2-[(2,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] (3S)-5-oxidanylidene-1-phenyl-pyrrolidine-3-carboxylate Openeye Name: [2-(2,4-dimethoxyanilino)-2-oxo-ethyl] (3S)-5-oxo-1-phenyl-pyrrolidine-3-carboxylate CAS Name: (3S)-5-oxo-1-phenyl-3-pyrrolidinecarboxylic acid [2-(2,4-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dimethoxyanilino)-2-oxoethyl] (3S)-5-oxo-1-phenylpyrrolidine-3-carboxylate Traditional Name: (3S)-5-keto-1-phenyl-pyrrolidine-3-carboxylic acid [2-(2,4-dimethoxyanilino)-2-keto-ethyl] ester Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)COC(=O)C2CC(=O)N(C2)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)COC(=O)[C@H]2CC(=O)N(C2)C3=CC=CC=C3)OC

InChI

InChI=1S/C21H22N2O6/c1-27-16-8-9-17(18(11-16)28-2)22-19(24)13-29-21(26)14-10-20(25)23(12-14)15-6-4-3-5-7-15/h3-9,11,14H,10,12-13H2,1-2H3,(H,22,24)/t14-/m0/s1