[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 3-acetamido-3-(4-chlorophenyl)propanoate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 3-acetamido-3-(4-chlorophenyl)propanoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 3-acetamido-3-(4-chlorophenyl)propanoate CAS Name: 3-acetamido-3-(4-chlorophenyl)propanoic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate Traditional Name: 3-acetamido-3-(4-chlorophenyl)propionic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C19H21ClN4O4 MolecularWeight: 404.84744

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)OCC(=O)N(CCC#N)CCC#N)C1=CC=C(C=C1)Cl

Isomeric SMILES

CC(=O)NC(CC(=O)OCC(=O)N(CCC#N)CCC#N)C1=CC=C(C=C1)Cl

InChI

InChI=1S/C19H21ClN4O4/c1-14(25)23-17(15-4-6-16(20)7-5-15)12-19(27)28-13-18(26)24(10-2-8-21)11-3-9-22/h4-7,17H,2-3,10-13H2,1H3,(H,23,25)