[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl] (3S)-1-(3-chloranyl-4-methyl-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl] (3S)-1-(3-chloranyl-4-methyl-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(4-methylanilino)-2-oxo-ethyl] (3S)-1-(3-chloro-4-methyl-phenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(3-chloro-4-methylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid [2-(4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methylanilino)-2-oxoethyl] (3S)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-(3-chloro-4-methyl-phenyl)-5-keto-pyrrolidine-3-carboxylic acid [2-keto-2-(p-toluidino)ethyl] ester Formula: C21H21ClN2O4 MolecularWeight: 400.85544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)COC(=O)C2CC(=O)N(C2)C3=CC(=C(C=C3)C)Cl

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)COC(=O)[C@H]2CC(=O)N(C2)C3=CC(=C(C=C3)C)Cl

InChI

InChI=1S/C21H21ClN2O4/c1-13-3-6-16(7-4-13)23-19(25)12-28-21(27)15-9-20(26)24(11-15)17-8-5-14(2)18(22)10-17/h3-8,10,15H,9,11-12H2,1-2H3,(H,23,25)/t15-/m0/s1