2-[4-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxidanylidene-2H-pyrrol-4-yl]-2-(carboxymethyloxy)phenoxy]ethanoic acid

Systemtic Name: 2-[4-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxidanylidene-2H-pyrrol-4-yl]-2-(carboxymethyloxy)phenoxy]ethanoic acid Openeye Name: 2-[4-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-4-yl]-2-(carboxymethyloxy)phenoxy]acetic acid CAS Name: 2-[4-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-4-yl]-2-(carboxymethyloxy)phenoxy]acetic acid IUPAC Name: 2-[4-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-4-yl]-2-(carboxymethyloxy)phenoxy]acetic acid Traditional Name: 2-[4-[1-(4-amidinophenyl)-2-keto-4-methoxy-3-pyrrolin-3-yl]-2-(carboxymethyloxy)phenoxy]acetic acid Formula: C22H21N3O8 MolecularWeight: 455.41744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=O)N(C1)C2=CC=C(C=C2)C(=N)N)C3=CC(=C(C=C3)OCC(=O)O)OCC(=O)O

Isomeric SMILES

COC1=C(C(=O)N(C1)C2=CC=C(C=C2)C(=N)N)C3=CC(=C(C=C3)OCC(=O)O)OCC(=O)O

InChI

InChI=1S/C22H21N3O8/c1-31-17-9-25(14-5-2-12(3-6-14)21(23)24)22(30)20(17)13-4-7-15(32-10-18(26)27)16(8-13)33-11-19(28)29/h2-8H,9-11H2,1H3,(H3,23,24)(H,26,27)(H,28,29)