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

Systemtic Name: [4-(phenylmethyl)phenyl] (3S)-1-(3-chloranyl-4-methyl-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (4-benzylphenyl) (3S)-1-(3-chloro-4-methyl-phenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(3-chloro-4-methylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid [4-(phenylmethyl)phenyl] ester IUPAC Name: (4-benzylphenyl) (3S)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-(3-chloro-4-methyl-phenyl)-5-keto-pyrrolidine-3-carboxylic acid (4-benzylphenyl) ester Formula: C25H22ClNO3 MolecularWeight: 419.90008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2CC(CC2=O)C(=O)OC3=CC=C(C=C3)CC4=CC=CC=C4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C[C@H](CC2=O)C(=O)OC3=CC=C(C=C3)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C25H22ClNO3/c1-17-7-10-21(15-23(17)26)27-16-20(14-24(27)28)25(29)30-22-11-8-19(9-12-22)13-18-5-3-2-4-6-18/h2-12,15,20H,13-14,16H2,1H3/t20-/m0/s1