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

Systemtic Name: [2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl] (3S)-1-benzamido-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(4-methylanilino)-2-oxo-ethyl] (3S)-1-benzamido-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-benzamido-5-oxo-3-pyrrolidinecarboxylic acid [2-(4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methylanilino)-2-oxoethyl] (3S)-1-benzamido-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-benzamido-5-keto-pyrrolidine-3-carboxylic acid [2-keto-2-(p-toluidino)ethyl] ester Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)COC(=O)C2CC(=O)N(C2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O5/c1-14-7-9-17(10-8-14)22-18(25)13-29-21(28)16-11-19(26)24(12-16)23-20(27)15-5-3-2-4-6-15/h2-10,16H,11-13H2,1H3,(H,22,25)(H,23,27)/t16-/m0/s1