[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] (3R)-1-(4-methylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] (3R)-1-(4-methylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(benzylamino)-2-oxo-ethyl] (3R)-5-oxo-1-(p-tolyl)pyrrolidine-3-carboxylate CAS Name: (3R)-1-(4-methylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid [2-oxo-2-[(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-(benzylamino)-2-oxoethyl] (3R)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3R)-5-keto-1-(p-tolyl)pyrrolidine-3-carboxylic acid [2-(benzylamino)-2-keto-ethyl] ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)OCC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)N2C[C@@H](CC2=O)C(=O)OCC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O4/c1-15-7-9-18(10-8-15)23-13-17(11-20(23)25)21(26)27-14-19(24)22-12-16-5-3-2-4-6-16/h2-10,17H,11-14H2,1H3,(H,22,24)/t17-/m1/s1