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

Systemtic Name: 4-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methyl-pyridin-3-yl]benzene-1,3-dicarboxylic acid Openeye Name: 4-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methyl-3-pyridyl]benzene-1,3-dicarboxylic acid CAS Name: 4-[2-[(4-carbamimidoylanilino)-oxomethyl]-6-methyl-3-pyridinyl]benzene-1,3-dicarboxylic acid IUPAC Name: 4-[2-[(4-carbamimidoylphenyl)carbamoyl]-6-methylpyridin-3-yl]benzene-1,3-dicarboxylic acid Traditional Name: 4-[2-[(4-amidinophenyl)carbamoyl]-6-methyl-3-pyridyl]isophthalic acid Formula: C22H18N4O5 MolecularWeight: 418.40212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=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

CC1=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/C22H18N4O5/c1-11-2-8-16(15-9-5-13(21(28)29)10-17(15)22(30)31)18(25-11)20(27)26-14-6-3-12(4-7-14)19(23)24/h2-10H,1H3,(H3,23,24)(H,26,27)(H,28,29)(H,30,31)