(4-tert-butylphenyl) (3S)-1-(5-chloranyl-2-methoxy-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: (4-tert-butylphenyl) (3S)-1-(5-chloranyl-2-methoxy-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (4-tert-butylphenyl) (3S)-1-(5-chloro-2-methoxy-phenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(5-chloro-2-methoxyphenyl)-5-oxo-3-pyrrolidinecarboxylic acid (4-tert-butylphenyl) ester IUPAC Name: (4-tert-butylphenyl) (3S)-1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-(5-chloro-2-methoxy-phenyl)-5-keto-pyrrolidine-3-carboxylic acid (4-tert-butylphenyl) ester Formula: C22H24ClNO4 MolecularWeight: 401.88326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClNO4/c1-22(2,3)15-5-8-17(9-6-15)28-21(26)14-11-20(25)24(13-14)18-12-16(23)7-10-19(18)27-4/h5-10,12,14H,11,13H2,1-4H3/t14-/m0/s1