2-[4-[4-(4-carbamimidoylphenyl)-4-oxidanylidene-butanoyl]-2-(carboxymethyloxy)phenoxy]ethanoic acid

Systemtic Name: 2-[4-[4-(4-carbamimidoylphenyl)-4-oxidanylidene-butanoyl]-2-(carboxymethyloxy)phenoxy]ethanoic acid Openeye Name: 2-[4-[4-(4-carbamimidoylphenyl)-4-oxo-butanoyl]-2-(carboxymethyloxy)phenoxy]acetic acid CAS Name: 2-[4-[4-(4-carbamimidoylphenyl)-1,4-dioxobutyl]-2-(carboxymethyloxy)phenoxy]acetic acid IUPAC Name: 2-[4-[4-(4-carbamimidoylphenyl)-4-oxobutanoyl]-2-(carboxymethyloxy)phenoxy]acetic acid Traditional Name: 2-[4-[4-(4-amidinophenyl)-4-keto-butanoyl]-2-(carboxymethyloxy)phenoxy]acetic acid Formula: C21H20N2O8 MolecularWeight: 428.3921

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CCC(=O)C2=CC(=C(C=C2)OCC(=O)O)OCC(=O)O)C(=N)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)CCC(=O)C2=CC(=C(C=C2)OCC(=O)O)OCC(=O)O)C(=N)N

InChI

InChI=1S/C21H20N2O8/c22-21(23)13-3-1-12(2-4-13)15(24)6-7-16(25)14-5-8-17(30-10-19(26)27)18(9-14)31-11-20(28)29/h1-5,8-9H,6-7,10-11H2,(H3,22,23)(H,26,27)(H,28,29)