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

Systemtic Name: [2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 3-acetamido-3-(4-chlorophenyl)propanoate Openeye Name: [2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl] 3-acetamido-3-(4-chlorophenyl)propanoate CAS Name: 3-acetamido-3-(4-chlorophenyl)propanoic acid [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate Traditional Name: 3-acetamido-3-(4-chlorophenyl)propionic acid [2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl] ester Formula: C17H20ClN3O4 MolecularWeight: 365.8114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClN3O4/c1-12(22)20-15(13-4-6-14(18)7-5-13)10-17(24)25-11-16(23)21(2)9-3-8-19/h4-7,15H,3,9-11H2,1-2H3,(H,20,22)