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

Systemtic Name: (5-methyl-2-propan-2-yl-phenyl) (3S)-5-oxidanylidene-1-(phenylmethyl)pyrrolidine-3-carboxylate Openeye Name: (2-isopropyl-5-methyl-phenyl) (3S)-1-benzyl-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-5-oxo-1-(phenylmethyl)-3-pyrrolidinecarboxylic acid (5-methyl-2-propan-2-ylphenyl) ester IUPAC Name: (5-methyl-2-propan-2-ylphenyl) (3S)-1-benzyl-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-benzyl-5-keto-pyrrolidine-3-carboxylic acid (2-isopropyl-5-methyl-phenyl) ester Formula: C22H25NO3 MolecularWeight: 351.4388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OC(=O)C2CC(=O)N(C2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OC(=O)[C@H]2CC(=O)N(C2)CC3=CC=CC=C3

InChI

InChI=1S/C22H25NO3/c1-15(2)19-10-9-16(3)11-20(19)26-22(25)18-12-21(24)23(14-18)13-17-7-5-4-6-8-17/h4-11,15,18H,12-14H2,1-3H3/t18-/m0/s1