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

Systemtic Name: (5-methyl-2-propan-2-yl-phenyl) (3S)-1-(3-chloranyl-4-methyl-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (2-isopropyl-5-methyl-phenyl) (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 (5-methyl-2-propan-2-ylphenyl) ester IUPAC Name: (5-methyl-2-propan-2-ylphenyl) (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 (2-isopropyl-5-methyl-phenyl) ester Formula: C22H24ClNO3 MolecularWeight: 385.88386

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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)C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClNO3/c1-13(2)18-8-5-14(3)9-20(18)27-22(26)16-10-21(25)24(12-16)17-7-6-15(4)19(23)11-17/h5-9,11,13,16H,10,12H2,1-4H3/t16-/m0/s1