3-[(4-cyanophenyl)methylamino]benzoic acid

Systemtic Name: 3-[(4-cyanophenyl)methylamino]benzoic acid Openeye Name: 3-[(4-cyanophenyl)methylamino]benzoic acid CAS Name: 3-[(4-cyanophenyl)methylamino]benzoic acid IUPAC Name: 3-[(4-cyanophenyl)methylamino]benzoic acid Traditional Name: 3-[(4-cyanobenzyl)amino]benzoic acid Formula: C15H12N2O2 MolecularWeight: 252.26798

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NCC2=CC=C(C=C2)C#N)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NCC2=CC=C(C=C2)C#N)C(=O)O

InChI

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