5-(hydroxymethyl)-2-methoxy-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid

Systemtic Name: 5-(hydroxymethyl)-2-methoxy-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid Openeye Name: 5-(hydroxymethyl)-4-isobutyl-2-methoxy-6-(trifluoromethyl)pyridine-3-carboxylic acid CAS Name: 5-(hydroxymethyl)-2-methoxy-4-(2-methylpropyl)-6-(trifluoromethyl)-3-pyridinecarboxylic acid IUPAC Name: 5-(hydroxymethyl)-2-methoxy-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid Traditional Name: 4-isobutyl-2-methoxy-5-methylol-6-(trifluoromethyl)nicotinic acid Formula: C13H16F3NO4 MolecularWeight: 307.26565

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C(=NC(=C1CO)C(F)(F)F)OC)C(=O)O

Isomeric SMILES

CC(C)CC1=C(C(=NC(=C1CO)C(F)(F)F)OC)C(=O)O

InChI

InChI=1S/C13H16F3NO4/c1-6(2)4-7-8(5-18)10(13(14,15)16)17-11(21-3)9(7)12(19)20/h6,18H,4-5H2,1-3H3,(H,19,20)