2-[2-[[(4-carbamimidoylphenyl)amino]methyl]phenyl]benzoic acid

Systemtic Name: 2-[2-[[(4-carbamimidoylphenyl)amino]methyl]phenyl]benzoic acid Openeye Name: 2-[2-[(4-carbamimidoylanilino)methyl]phenyl]benzoic acid CAS Name: 2-[2-[(4-carbamimidoylanilino)methyl]phenyl]benzoic acid IUPAC Name: 2-[2-[(4-carbamimidoylanilino)methyl]phenyl]benzoic acid Traditional Name: 2-[2-[(4-amidinoanilino)methyl]phenyl]benzoic acid Formula: C21H19N3O2 MolecularWeight: 345.39446

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC2=CC=C(C=C2)C(=N)N)C3=CC=CC=C3C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)CNC2=CC=C(C=C2)C(=N)N)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C21H19N3O2/c22-20(23)14-9-11-16(12-10-14)24-13-15-5-1-2-6-17(15)18-7-3-4-8-19(18)21(25)26/h1-12,24H,13H2,(H3,22,23)(H,25,26)