(4-tert-butylphenyl) (3S)-1-(4-chlorophenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: (4-tert-butylphenyl) (3S)-1-(4-chlorophenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (4-tert-butylphenyl) (3S)-1-(4-chlorophenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(4-chlorophenyl)-5-oxo-3-pyrrolidinecarboxylic acid (4-tert-butylphenyl) ester IUPAC Name: (4-tert-butylphenyl) (3S)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-(4-chlorophenyl)-5-keto-pyrrolidine-3-carboxylic acid (4-tert-butylphenyl) ester Formula: C21H22ClNO3 MolecularWeight: 371.85728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClNO3/c1-21(2,3)15-4-10-18(11-5-15)26-20(25)14-12-19(24)23(13-14)17-8-6-16(22)7-9-17/h4-11,14H,12-13H2,1-3H3/t14-/m0/s1