3-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-methyl-phenyl]-6-(methylcarbamoyl)pyridine-2-carboxylic acid

Systemtic Name: 3-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-methyl-phenyl]-6-(methylcarbamoyl)pyridine-2-carboxylic acid Openeye Name: 3-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-methyl-phenyl]-6-(methylcarbamoyl)pyridine-2-carboxylic acid CAS Name: 3-[2-[(4-carbamimidoylanilino)-oxomethyl]-4-methylphenyl]-6-(methylcarbamoyl)-2-pyridinecarboxylic acid IUPAC Name: 3-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-methylphenyl]-6-(methylcarbamoyl)pyridine-2-carboxylic acid Traditional Name: 3-[2-[(4-amidinophenyl)carbamoyl]-4-methyl-phenyl]-6-(methylcarbamoyl)picolinic acid Formula: C23H21N5O4 MolecularWeight: 431.44394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N5O4/c1-12-3-8-15(16-9-10-18(22(30)26-2)28-19(16)23(31)32)17(11-12)21(29)27-14-6-4-13(5-7-14)20(24)25/h3-11H,1-2H3,(H3,24,25)(H,26,30)(H,27,29)(H,31,32)