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

Systemtic Name: [2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-ethyl] (3S)-1-(4-chlorophenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(3-acetylanilino)-2-oxo-ethyl] (3S)-1-(4-chlorophenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(4-chlorophenyl)-5-oxo-3-pyrrolidinecarboxylic acid [2-(3-acetylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-acetylanilino)-2-oxoethyl] (3S)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-(4-chlorophenyl)-5-keto-pyrrolidine-3-carboxylic acid [2-(3-acetylanilino)-2-keto-ethyl] ester Formula: C21H19ClN2O5 MolecularWeight: 414.83896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN2O5/c1-13(25)14-3-2-4-17(9-14)23-19(26)12-29-21(28)15-10-20(27)24(11-15)18-7-5-16(22)6-8-18/h2-9,15H,10-12H2,1H3,(H,23,26)/t15-/m0/s1