[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 4-[(4-chlorophenyl)carbonylamino]butanoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 4-[(4-chlorophenyl)carbonylamino]butanoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 4-[(4-chlorobenzoyl)amino]butanoate CAS Name: 4-[[(4-chlorophenyl)-oxomethyl]amino]butanoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 4-[(4-chlorobenzoyl)amino]butanoate Traditional Name: 4-[(4-chlorobenzoyl)amino]butyric acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C16H18ClN3O4 MolecularWeight: 351.78482

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NCCCC(=O)OCC(=O)NCCC#N)Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)NCCCC(=O)OCC(=O)NCCC#N)Cl

InChI

InChI=1S/C16H18ClN3O4/c17-13-6-4-12(5-7-13)16(23)20-9-1-3-15(22)24-11-14(21)19-10-2-8-18/h4-7H,1-3,9-11H2,(H,19,21)(H,20,23)