2-[4-[4-(4-carbamimidoylphenyl)-1-methyl-imidazol-2-yl]-2-(carboxymethyloxy)phenoxy]ethanoic acid

Systemtic Name: 2-[4-[4-(4-carbamimidoylphenyl)-1-methyl-imidazol-2-yl]-2-(carboxymethyloxy)phenoxy]ethanoic acid Openeye Name: 2-[4-[4-(4-carbamimidoylphenyl)-1-methyl-imidazol-2-yl]-2-(carboxymethyloxy)phenoxy]acetic acid CAS Name: 2-[4-[4-(4-carbamimidoylphenyl)-1-methyl-2-imidazolyl]-2-(carboxymethyloxy)phenoxy]acetic acid IUPAC Name: 2-[4-[4-(4-carbamimidoylphenyl)-1-methylimidazol-2-yl]-2-(carboxymethyloxy)phenoxy]acetic acid Traditional Name: 2-[4-[4-(4-amidinophenyl)-1-methyl-imidazol-2-yl]-2-(carboxymethyloxy)phenoxy]acetic acid Formula: C21H20N4O6 MolecularWeight: 424.4067

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(N=C1C2=CC(=C(C=C2)OCC(=O)O)OCC(=O)O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CN1C=C(N=C1C2=CC(=C(C=C2)OCC(=O)O)OCC(=O)O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C21H20N4O6/c1-25-9-15(12-2-4-13(5-3-12)20(22)23)24-21(25)14-6-7-16(30-10-18(26)27)17(8-14)31-11-19(28)29/h2-9H,10-11H2,1H3,(H3,22,23)(H,26,27)(H,28,29)