4-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxy-pyridin-3-yl]benzene-1,3-dicarboxylic acid

Systemtic Name: 4-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxy-pyridin-3-yl]benzene-1,3-dicarboxylic acid Openeye Name: 4-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxy-3-pyridyl]benzene-1,3-dicarboxylic acid CAS Name: 4-[2-[(4-carbamimidoylanilino)-oxomethyl]-6-methoxy-3-pyridinyl]benzene-1,3-dicarboxylic acid IUPAC Name: 4-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxypyridin-3-yl]benzene-1,3-dicarboxylic acid Traditional Name: 4-[2-[(4-amidinophenyl)carbamoyl]-6-methoxy-3-pyridyl]isophthalic acid Formula: C22H18N4O6 MolecularWeight: 434.40152

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=C(C=C1)C2=C(C=C(C=C2)C(=O)O)C(=O)O)C(=O)NC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC1=NC(=C(C=C1)C2=C(C=C(C=C2)C(=O)O)C(=O)O)C(=O)NC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C22H18N4O6/c1-32-17-9-8-15(14-7-4-12(21(28)29)10-16(14)22(30)31)18(26-17)20(27)25-13-5-2-11(3-6-13)19(23)24/h2-10H,1H3,(H3,23,24)(H,25,27)(H,28,29)(H,30,31)