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

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-(carboxymethyloxy)phenyl]benzoic acid Openeye Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-(carboxymethyloxy)phenyl]benzoic acid CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]-4-(carboxymethyloxy)phenyl]benzoic acid IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-(carboxymethyloxy)phenyl]benzoic acid Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]-4-(carboxymethyloxy)phenyl]benzoic acid Formula: C23H19N3O6 MolecularWeight: 433.41346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19N3O6/c24-21(25)13-5-7-14(8-6-13)26-22(29)19-11-15(32-12-20(27)28)9-10-17(19)16-3-1-2-4-18(16)23(30)31/h1-11H,12H2,(H3,24,25)(H,26,29)(H,27,28)(H,30,31)