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

Systemtic Name: [2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] (3S)-1-(3-chloranyl-2-methyl-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(3,4-dimethylphenyl)-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-(3,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylphenyl)-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-(3,4-dimethylphenyl)-2-keto-ethyl] ester Formula: C22H22ClNO4 MolecularWeight: 399.86738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClNO4/c1-13-7-8-16(9-14(13)2)20(25)12-28-22(27)17-10-21(26)24(11-17)19-6-4-5-18(23)15(19)3/h4-9,17H,10-12H2,1-3H3/t17-/m0/s1