[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] (3S)-1-[(2-chlorophenyl)methyl]-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] (3S)-1-[(2-chlorophenyl)methyl]-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] (3S)-1-[(2-chlorophenyl)methyl]-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-[(2-chlorophenyl)methyl]-5-oxo-3-pyrrolidinecarboxylic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] (3S)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-(2-chlorobenzyl)-5-keto-pyrrolidine-3-carboxylic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C17H18ClN3O4 MolecularWeight: 363.79552

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1=O)CC2=CC=CC=C2Cl)C(=O)OCC(=O)NCCC#N

Isomeric SMILES

C1[C@@H](CN(C1=O)CC2=CC=CC=C2Cl)C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C17H18ClN3O4/c18-14-5-2-1-4-12(14)9-21-10-13(8-16(21)23)17(24)25-11-15(22)20-7-3-6-19/h1-2,4-5,13H,3,7-11H2,(H,20,22)/t13-/m0/s1