(4-ethanoylphenyl) (3S)-1-[(2-chlorophenyl)methyl]-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: (4-ethanoylphenyl) (3S)-1-[(2-chlorophenyl)methyl]-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (4-acetylphenyl) (3S)-1-[(2-chlorophenyl)methyl]-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-[(2-chlorophenyl)methyl]-5-oxo-3-pyrrolidinecarboxylic acid (4-acetylphenyl) ester IUPAC Name: (4-acetylphenyl) (3S)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-(2-chlorobenzyl)-5-keto-pyrrolidine-3-carboxylic acid (4-acetylphenyl) ester Formula: C20H18ClNO4 MolecularWeight: 371.81422

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OC(=O)C2CC(=O)N(C2)CC3=CC=CC=C3Cl

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OC(=O)[C@H]2CC(=O)N(C2)CC3=CC=CC=C3Cl

InChI

InChI=1S/C20H18ClNO4/c1-13(23)14-6-8-17(9-7-14)26-20(25)16-10-19(24)22(12-16)11-15-4-2-3-5-18(15)21/h2-9,16H,10-12H2,1H3/t16-/m0/s1