3-[(3-cyanophenyl)methylamino]benzoic acid

Systemtic Name: 3-[(3-cyanophenyl)methylamino]benzoic acid Openeye Name: 3-[(3-cyanophenyl)methylamino]benzoic acid CAS Name: 3-[(3-cyanophenyl)methylamino]benzoic acid IUPAC Name: 3-[(3-cyanophenyl)methylamino]benzoic acid Traditional Name: 3-[(3-cyanobenzyl)amino]benzoic acid Formula: C15H12N2O2 MolecularWeight: 252.26798

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CNC2=CC=CC(=C2)C(=O)O)C#N

Isomeric SMILES

C1=CC(=CC(=C1)CNC2=CC=CC(=C2)C(=O)O)C#N

InChI

InChI=1S/C15H12N2O2/c16-9-11-3-1-4-12(7-11)10-17-14-6-2-5-13(8-14)15(18)19/h1-8,17H,10H2,(H,18,19)