2-[3-[[(4-carbamimidoylphenyl)amino]methyl]naphthalen-2-yl]benzoic acid

Systemtic Name: 2-[3-[[(4-carbamimidoylphenyl)amino]methyl]naphthalen-2-yl]benzoic acid Openeye Name: 2-[3-[(4-carbamimidoylanilino)methyl]-2-naphthyl]benzoic acid CAS Name: 2-[3-[(4-carbamimidoylanilino)methyl]-2-naphthalenyl]benzoic acid IUPAC Name: 2-[3-[(4-carbamimidoylanilino)methyl]naphthalen-2-yl]benzoic acid Traditional Name: 2-[3-[(4-amidinoanilino)methyl]-2-naphthyl]benzoic acid Formula: C25H21N3O2 MolecularWeight: 395.45314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C(=CC2=C1)CNC3=CC=C(C=C3)C(=N)N)C4=CC=CC=C4C(=O)O

Isomeric SMILES

C1=CC=C2C=C(C(=CC2=C1)CNC3=CC=C(C=C3)C(=N)N)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C25H21N3O2/c26-24(27)16-9-11-20(12-10-16)28-15-19-13-17-5-1-2-6-18(17)14-23(19)21-7-3-4-8-22(21)25(29)30/h1-14,28H,15H2,(H3,26,27)(H,29,30)