(4-tert-butylphenyl) (3S)-1-(3-chloranyl-4-methyl-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: (4-tert-butylphenyl) (3S)-1-(3-chloranyl-4-methyl-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (4-tert-butylphenyl) (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-tert-butylphenyl) ester IUPAC Name: (4-tert-butylphenyl) (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-tert-butylphenyl) ester Formula: C22H24ClNO3 MolecularWeight: 385.88386

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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)C(C)(C)C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClNO3/c1-14-5-8-17(12-19(14)23)24-13-15(11-20(24)25)21(26)27-18-9-6-16(7-10-18)22(2,3)4/h5-10,12,15H,11,13H2,1-4H3/t15-/m0/s1