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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)COC(=O)C2CC(=O)N(C2)C3=C(C(=CC=C3)Cl)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)COC(=O)[C@H]2CC(=O)N(C2)C3=C(C(=CC=C3)Cl)C

InChI

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