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

Systemtic Name: [2-[(4-methoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl] (3S)-1-(3-methylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(4-methoxycarbonylanilino)-2-oxo-ethyl] (3S)-1-(m-tolyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(3-methylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid [2-(4-methoxycarbonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methoxycarbonylanilino)-2-oxoethyl] (3S)-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-5-keto-1-(m-tolyl)pyrrolidine-3-carboxylic acid [2-(4-carbomethoxyanilino)-2-keto-ethyl] ester Formula: C22H22N2O6 MolecularWeight: 410.41988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CC(CC2=O)C(=O)OCC(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC(=CC=C1)N2C[C@H](CC2=O)C(=O)OCC(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H22N2O6/c1-14-4-3-5-18(10-14)24-12-16(11-20(24)26)22(28)30-13-19(25)23-17-8-6-15(7-9-17)21(27)29-2/h3-10,16H,11-13H2,1-2H3,(H,23,25)/t16-/m0/s1