2-[6-[(4-carbamimidoylphenyl)carbamoyl]-1-benzofuran-5-yl]benzoic acid

Systemtic Name: 2-[6-[(4-carbamimidoylphenyl)carbamoyl]-1-benzofuran-5-yl]benzoic acid Openeye Name: 2-[6-[(4-carbamimidoylphenyl)carbamoyl]benzofuran-5-yl]benzoic acid CAS Name: 2-[6-[(4-carbamimidoylanilino)-oxomethyl]-5-benzofuranyl]benzoic acid IUPAC Name: 2-[6-[(4-carbamimidoylphenyl)carbamoyl]-1-benzofuran-5-yl]benzoic acid Traditional Name: 2-[6-[(4-amidinophenyl)carbamoyl]benzofuran-5-yl]benzoic acid Formula: C23H17N3O4 MolecularWeight: 399.39878

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=C(C=C3C(=C2)C=CO3)C(=O)NC4=CC=C(C=C4)C(=N)N)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C2=C(C=C3C(=C2)C=CO3)C(=O)NC4=CC=C(C=C4)C(=N)N)C(=O)O

InChI

InChI=1S/C23H17N3O4/c24-21(25)13-5-7-15(8-6-13)26-22(27)19-12-20-14(9-10-30-20)11-18(19)16-3-1-2-4-17(16)23(28)29/h1-12H,(H3,24,25)(H,26,27)(H,28,29)