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

Systemtic Name: 2-[2-[[(4-carbamimidoylphenyl)amino]-cyano-methyl]phenyl]benzoic acid Openeye Name: 2-[2-[(4-carbamimidoylanilino)-cyano-methyl]phenyl]benzoic acid CAS Name: 2-[2-[(4-carbamimidoylanilino)-cyanomethyl]phenyl]benzoic acid IUPAC Name: 2-[2-[(4-carbamimidoylanilino)-cyanomethyl]phenyl]benzoic acid Traditional Name: 2-[2-[(4-amidinoanilino)-cyano-methyl]phenyl]benzoic acid Formula: C22H18N4O2 MolecularWeight: 370.40392

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC=CC=C2C(=O)O)C(C#N)NC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC=CC=C2C(=O)O)C(C#N)NC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C22H18N4O2/c23-13-20(26-15-11-9-14(10-12-15)21(24)25)18-7-3-1-5-16(18)17-6-2-4-8-19(17)22(27)28/h1-12,20,26H,(H3,24,25)(H,27,28)