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

Systemtic Name: 2-[[2-cyanoethyl(phenyl)amino]methyl]benzoic acid Openeye Name: 2-[[N-(2-cyanoethyl)anilino]methyl]benzoic acid CAS Name: 2-[[N-(2-cyanoethyl)anilino]methyl]benzoic acid IUPAC Name: 2-[[N-(2-cyanoethyl)anilino]methyl]benzoic acid Traditional Name: 2-[[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=C2C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N(CCC#N)CC2=CC=CC=C2C(=O)O

InChI

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