3-[2-cyanoethyl-(4-methoxyphenyl)amino]propanoic acid

Systemtic Name: 3-[2-cyanoethyl-(4-methoxyphenyl)amino]propanoic acid Openeye Name: 3-[N-(2-cyanoethyl)-4-methoxy-anilino]propanoic acid CAS Name: 3-[N-(2-cyanoethyl)-4-methoxyanilino]propanoic acid IUPAC Name: 3-[N-(2-cyanoethyl)-4-methoxyanilino]propanoic acid Traditional Name: 3-[N-(2-cyanoethyl)-4-methoxy-anilino]propionic acid Formula: C13H16N2O3 MolecularWeight: 248.27774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N(CCC#N)CCC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)N(CCC#N)CCC(=O)O

InChI

InChI=1S/C13H16N2O3/c1-18-12-5-3-11(4-6-12)15(9-2-8-14)10-7-13(16)17/h3-6H,2,7,9-10H2,1H3,(H,16,17)