[4-(2-methylbutan-2-yl)phenyl] (3S)-1-(3-chloranyl-2-methyl-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [4-(2-methylbutan-2-yl)phenyl] (3S)-1-(3-chloranyl-2-methyl-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [4-(1,1-dimethylpropyl)phenyl] (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 [4-(2-methylbutan-2-yl)phenyl] ester IUPAC Name: [4-(2-methylbutan-2-yl)phenyl] (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 (4-tert-amylphenyl) ester Formula: C23H26ClNO3 MolecularWeight: 399.91044

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC=C(C=C1)OC(=O)C2CC(=O)N(C2)C3=C(C(=CC=C3)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C23H26ClNO3/c1-5-23(3,4)17-9-11-18(12-10-17)28-22(27)16-13-21(26)25(14-16)20-8-6-7-19(24)15(20)2/h6-12,16H,5,13-14H2,1-4H3/t16-/m0/s1