2-[4-[(5-carbamimidoyl-1-benzofuran-2-yl)carbonylamino]-2-(carboxymethyloxy)phenoxy]ethanoic acid

Systemtic Name: 2-[4-[(5-carbamimidoyl-1-benzofuran-2-yl)carbonylamino]-2-(carboxymethyloxy)phenoxy]ethanoic acid Openeye Name: 2-[4-[(5-carbamimidoylbenzofuran-2-carbonyl)amino]-2-(carboxymethyloxy)phenoxy]acetic acid CAS Name: 2-[4-[[(5-carbamimidoyl-2-benzofuranyl)-oxomethyl]amino]-2-(carboxymethyloxy)phenoxy]acetic acid IUPAC Name: 2-[4-[(5-carbamimidoyl-1-benzofuran-2-carbonyl)amino]-2-(carboxymethyloxy)phenoxy]acetic acid Traditional Name: 2-[4-[(5-amidinobenzofuran-2-carbonyl)amino]-2-(carboxymethyloxy)phenoxy]acetic acid Formula: C20H17N3O8 MolecularWeight: 427.36428

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=N)N)C=C(O2)C(=O)NC3=CC(=C(C=C3)OCC(=O)O)OCC(=O)O

Isomeric SMILES

C1=CC2=C(C=C1C(=N)N)C=C(O2)C(=O)NC3=CC(=C(C=C3)OCC(=O)O)OCC(=O)O

InChI

InChI=1S/C20H17N3O8/c21-19(22)10-1-3-13-11(5-10)6-16(31-13)20(28)23-12-2-4-14(29-8-17(24)25)15(7-12)30-9-18(26)27/h1-7H,8-9H2,(H3,21,22)(H,23,28)(H,24,25)(H,26,27)