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

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(methylcarbamoyl)benzoic acid Openeye Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(methylcarbamoyl)benzoic acid CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]phenyl]-5-(methylcarbamoyl)benzoic acid IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(methylcarbamoyl)benzoic acid Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]phenyl]-5-(methylcarbamoyl)benzoic acid Formula: C23H20N4O4 MolecularWeight: 416.4293

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20N4O4/c1-26-21(28)14-8-11-17(19(12-14)23(30)31)16-4-2-3-5-18(16)22(29)27-15-9-6-13(7-10-15)20(24)25/h2-12H,1H3,(H3,24,25)(H,26,28)(H,27,29)(H,30,31)