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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CC(CC2=O)C(=O)OCC(=O)NC3=C(C(=CC=C3)Cl)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C[C@H](CC2=O)C(=O)OCC(=O)NC3=C(C(=CC=C3)Cl)C

InChI

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