3-[2-cyanoethyl(phenyl)amino]-2-methyl-propanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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