3-[[2-cyanoethyl(phenyl)amino]methyl]benzoate

Systemtic Name: 3-[[2-cyanoethyl(phenyl)amino]methyl]benzoate Openeye Name: 3-[[N-(2-cyanoethyl)anilino]methyl]benzoate CAS Name: 3-[[N-(2-cyanoethyl)anilino]methyl]benzoate IUPAC Name: 3-[[N-(2-cyanoethyl)anilino]methyl]benzoate Traditional Name: 3-[[N-(2-cyanoethyl)anilino]methyl]benzoate Formula: C17H15N2O2- MolecularWeight: 279.3132

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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)/p-1