2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-[(phenylmethyl)carbamoyl]benzoic acid

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-[(phenylmethyl)carbamoyl]benzoic acid Openeye Name: 5-(benzylcarbamoyl)-2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]benzoic acid CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]phenyl]-5-[oxo-[(phenylmethyl)amino]methyl]benzoic acid IUPAC Name: 5-(benzylcarbamoyl)-2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]benzoic acid Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]phenyl]-5-(benzylcarbamoyl)benzoic acid Formula: C29H24N4O4 MolecularWeight: 492.52526

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C2=CC(=C(C=C2)C3=CC=CC=C3C(=O)NC4=CC=C(C=C4)C(=N)N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C2=CC(=C(C=C2)C3=CC=CC=C3C(=O)NC4=CC=C(C=C4)C(=N)N)C(=O)O

InChI

InChI=1S/C29H24N4O4/c30-26(31)19-10-13-21(14-11-19)33-28(35)24-9-5-4-8-22(24)23-15-12-20(16-25(23)29(36)37)27(34)32-17-18-6-2-1-3-7-18/h1-16H,17H2,(H3,30,31)(H,32,34)(H,33,35)(H,36,37)