methyl 3-[2-cyanoethyl(phenyl)amino]propanoate

Systemtic Name: methyl 3-[2-cyanoethyl(phenyl)amino]propanoate Openeye Name: methyl 3-[N-(2-cyanoethyl)anilino]propanoate CAS Name: 3-[N-(2-cyanoethyl)anilino]propanoic acid methyl ester IUPAC Name: methyl 3-[N-(2-cyanoethyl)anilino]propanoate Traditional Name: 3-[N-(2-cyanoethyl)anilino]propionic acid methyl ester Formula: C13H16N2O2 MolecularWeight: 232.27834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN(CCC#N)C1=CC=CC=C1

Isomeric SMILES

COC(=O)CCN(CCC#N)C1=CC=CC=C1

InChI

InChI=1S/C13H16N2O2/c1-17-13(16)8-11-15(10-5-9-14)12-6-3-2-4-7-12/h2-4,6-7H,5,8,10-11H2,1H3