[2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (3S)-1-(2,6-dimethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (3S)-1-(2,6-dimethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(3-chloro-4-methyl-anilino)-2-oxo-ethyl] (3S)-1-(2,6-dimethylphenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(2,6-dimethylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid [2-(3-chloro-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-methylanilino)-2-oxoethyl] (3S)-1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-(2,6-dimethylphenyl)-5-keto-pyrrolidine-3-carboxylic acid [2-(3-chloro-4-methyl-anilino)-2-keto-ethyl] ester Formula: C22H23ClN2O4 MolecularWeight: 414.88202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClN2O4/c1-13-7-8-17(10-18(13)23)24-19(26)12-29-22(28)16-9-20(27)25(11-16)21-14(2)5-4-6-15(21)3/h4-8,10,16H,9,11-12H2,1-3H3,(H,24,26)/t16-/m0/s1