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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OC(=O)C2CC(=O)N(C2)C3=C(C(=CC=C3)Cl)C

Isomeric SMILES

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

InChI

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