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

Systemtic Name: [2-[(4-acetamidophenyl)amino]-2-oxidanylidene-ethyl] (3S)-5-oxidanylidene-1-phenyl-pyrrolidine-3-carboxylate Openeye Name: [2-(4-acetamidoanilino)-2-oxo-ethyl] (3S)-5-oxo-1-phenyl-pyrrolidine-3-carboxylate CAS Name: (3S)-5-oxo-1-phenyl-3-pyrrolidinecarboxylic acid [2-(4-acetamidoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-acetamidoanilino)-2-oxoethyl] (3S)-5-oxo-1-phenylpyrrolidine-3-carboxylate Traditional Name: (3S)-5-keto-1-phenyl-pyrrolidine-3-carboxylic acid [2-(4-acetamidoanilino)-2-keto-ethyl] ester Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)COC(=O)C2CC(=O)N(C2)C3=CC=CC=C3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)COC(=O)[C@H]2CC(=O)N(C2)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O5/c1-14(25)22-16-7-9-17(10-8-16)23-19(26)13-29-21(28)15-11-20(27)24(12-15)18-5-3-2-4-6-18/h2-10,15H,11-13H2,1H3,(H,22,25)(H,23,26)/t15-/m0/s1