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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)C2=CC=CC=C2C(=O)O)C(=O)NC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)C2=CC=CC=C2C(=O)O)C(=O)NC3=CC=C(C=C3)C(=N)N

InChI

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