(5-methyl-2-propan-2-yl-phenyl) (3S)-1-(4-chlorophenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: (5-methyl-2-propan-2-yl-phenyl) (3S)-1-(4-chlorophenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (2-isopropyl-5-methyl-phenyl) (3S)-1-(4-chlorophenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(4-chlorophenyl)-5-oxo-3-pyrrolidinecarboxylic acid (5-methyl-2-propan-2-ylphenyl) ester IUPAC Name: (5-methyl-2-propan-2-ylphenyl) (3S)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-(4-chlorophenyl)-5-keto-pyrrolidine-3-carboxylic acid (2-isopropyl-5-methyl-phenyl) ester Formula: C21H22ClNO3 MolecularWeight: 371.85728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClNO3/c1-13(2)18-9-4-14(3)10-19(18)26-21(25)15-11-20(24)23(12-15)17-7-5-16(22)6-8-17/h4-10,13,15H,11-12H2,1-3H3/t15-/m0/s1