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

Systemtic Name: (5-methyl-2-propan-2-yl-phenyl) (3S)-1-(4-methoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (2-isopropyl-5-methyl-phenyl) (3S)-1-(4-methoxyphenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(4-methoxyphenyl)-5-oxo-3-pyrrolidinecarboxylic acid (5-methyl-2-propan-2-ylphenyl) ester IUPAC Name: (5-methyl-2-propan-2-ylphenyl) (3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-5-keto-1-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid (2-isopropyl-5-methyl-phenyl) ester Formula: C22H25NO4 MolecularWeight: 367.4382

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO4/c1-14(2)19-10-5-15(3)11-20(19)27-22(25)16-12-21(24)23(13-16)17-6-8-18(26-4)9-7-17/h5-11,14,16H,12-13H2,1-4H3/t16-/m0/s1