2-[2-cyanoethyl(phenyl)amino]butanoic acid

Systemtic Name: 2-[2-cyanoethyl(phenyl)amino]butanoic acid Openeye Name: 2-[N-(2-cyanoethyl)anilino]butanoic acid CAS Name: 2-[N-(2-cyanoethyl)anilino]butanoic acid IUPAC Name: 2-[N-(2-cyanoethyl)anilino]butanoic acid Traditional Name: 2-[N-(2-cyanoethyl)anilino]butyric acid Formula: C13H16N2O2 MolecularWeight: 232.27834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O2/c1-2-12(13(16)17)15(10-6-9-14)11-7-4-3-5-8-11/h3-5,7-8,12H,2,6,10H2,1H3,(H,16,17)