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

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-ethanoyl-benzoic acid Openeye Name: 5-acetyl-2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]benzoic acid CAS Name: 5-acetyl-2-[2-[(4-carbamimidoylanilino)-oxomethyl]phenyl]benzoic acid IUPAC Name: 5-acetyl-2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]benzoic acid Traditional Name: 5-acetyl-2-[2-[(4-amidinophenyl)carbamoyl]phenyl]benzoic acid Formula: C23H19N3O4 MolecularWeight: 401.41466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=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/C23H19N3O4/c1-13(27)15-8-11-18(20(12-15)23(29)30)17-4-2-3-5-19(17)22(28)26-16-9-6-14(7-10-16)21(24)25/h2-12H,1H3,(H3,24,25)(H,26,28)(H,29,30)