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

Systemtic Name: 3-[2-[(4-carbamimidoylphenyl)methoxy]-4-methyl-phenyl]-6-(methylcarbamoyl)pyridine-2-carboxylic acid Openeye Name: 3-[2-[(4-carbamimidoylphenyl)methoxy]-4-methyl-phenyl]-6-(methylcarbamoyl)pyridine-2-carboxylic acid CAS Name: 3-[2-[(4-carbamimidoylphenyl)methoxy]-4-methylphenyl]-6-(methylcarbamoyl)-2-pyridinecarboxylic acid IUPAC Name: 3-[2-[(4-carbamimidoylphenyl)methoxy]-4-methylphenyl]-6-(methylcarbamoyl)pyridine-2-carboxylic acid Traditional Name: 3-[2-(4-amidinobenzyl)oxy-4-methyl-phenyl]-6-(methylcarbamoyl)picolinic acid Formula: C23H22N4O4 MolecularWeight: 418.44518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=C(N=C(C=C2)C(=O)NC)C(=O)O)OCC3=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)OCC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C23H22N4O4/c1-13-3-8-16(17-9-10-18(22(28)26-2)27-20(17)23(29)30)19(11-13)31-12-14-4-6-15(7-5-14)21(24)25/h3-11H,12H2,1-2H3,(H3,24,25)(H,26,28)(H,29,30)