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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1)C2=CN=CC=C2)C(=O)O)C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)O

Isomeric SMILES

CC1=C(C(=C(C(=C1)C2=CN=CC=C2)C(=O)O)C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)O

InChI

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