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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NN2CC(CC2=O)C(=O)OCC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NN2C[C@H](CC2=O)C(=O)OCC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H19ClN2O5/c1-13-3-2-4-15(9-13)20(27)23-24-11-16(10-19(24)26)21(28)29-12-18(25)14-5-7-17(22)8-6-14/h2-9,16H,10-12H2,1H3,(H,23,27)/t16-/m0/s1