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

Systemtic Name: 3-[[2-cyanoethyl(phenyl)amino]methyl]benzoic acid Openeye Name: 3-[[N-(2-cyanoethyl)anilino]methyl]benzoic acid CAS Name: 3-[[N-(2-cyanoethyl)anilino]methyl]benzoic acid IUPAC Name: 3-[[N-(2-cyanoethyl)anilino]methyl]benzoic acid Traditional Name: 3-[[N-(2-cyanoethyl)anilino]methyl]benzoic acid Formula: C17H16N2O2 MolecularWeight: 280.32114

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCC#N)CC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N(CCC#N)CC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C17H16N2O2/c18-10-5-11-19(16-8-2-1-3-9-16)13-14-6-4-7-15(12-14)17(20)21/h1-4,6-9,12H,5,11,13H2,(H,20,21)