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

Systemtic Name: [2-[(2S)-butan-2-yl]phenyl] (3S)-1-(3-chloranyl-2-methyl-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-[(1S)-1-methylpropyl]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 [2-[(2S)-butan-2-yl]phenyl] ester IUPAC Name: [2-[(2S)-butan-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 [2-[(1S)-1-methylpropyl]phenyl] ester Formula: C22H24ClNO3 MolecularWeight: 385.88386

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1OC(=O)C2CC(=O)N(C2)C3=C(C(=CC=C3)Cl)C

Isomeric SMILES

CC[C@H](C)C1=CC=CC=C1OC(=O)[C@H]2CC(=O)N(C2)C3=C(C(=CC=C3)Cl)C

InChI

InChI=1S/C22H24ClNO3/c1-4-14(2)17-8-5-6-11-20(17)27-22(26)16-12-21(25)24(13-16)19-10-7-9-18(23)15(19)3/h5-11,14,16H,4,12-13H2,1-3H3/t14-,16-/m0/s1