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

Systemtic Name: 3-[2-[(4-carbamimidoylphenyl)methoxy]-6-methyl-pyridin-3-yl]-6-(methylcarbamoyl)pyridine-2-carboxylic acid Openeye Name: 3-[2-[(4-carbamimidoylphenyl)methoxy]-6-methyl-3-pyridyl]-6-(methylcarbamoyl)pyridine-2-carboxylic acid CAS Name: 3-[2-[(4-carbamimidoylphenyl)methoxy]-6-methyl-3-pyridinyl]-6-(methylcarbamoyl)-2-pyridinecarboxylic acid IUPAC Name: 3-[2-[(4-carbamimidoylphenyl)methoxy]-6-methylpyridin-3-yl]-6-(methylcarbamoyl)pyridine-2-carboxylic acid Traditional Name: 3-[2-(4-amidinobenzyl)oxy-6-methyl-3-pyridyl]-6-(methylcarbamoyl)picolinic acid Formula: C22H21N5O4 MolecularWeight: 419.43324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=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=NC(=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/C22H21N5O4/c1-12-3-8-16(15-9-10-17(20(28)25-2)27-18(15)22(29)30)21(26-12)31-11-13-4-6-14(7-5-13)19(23)24/h3-10H,11H2,1-2H3,(H3,23,24)(H,25,28)(H,29,30)