6-(4-chlorophenyl)-2-(5-methylhexan-2-yloxy)-4-(trifluoromethyl)pyridine-3-carboxylic acid

Systemtic Name: 6-(4-chlorophenyl)-2-(5-methylhexan-2-yloxy)-4-(trifluoromethyl)pyridine-3-carboxylic acid Openeye Name: 6-(4-chlorophenyl)-2-(1,4-dimethylpentoxy)-4-(trifluoromethyl)pyridine-3-carboxylic acid CAS Name: 6-(4-chlorophenyl)-2-(5-methylhexan-2-yloxy)-4-(trifluoromethyl)-3-pyridinecarboxylic acid IUPAC Name: 6-(4-chlorophenyl)-2-(5-methylhexan-2-yloxy)-4-(trifluoromethyl)pyridine-3-carboxylic acid Traditional Name: 6-(4-chlorophenyl)-2-(1,4-dimethylpentoxy)-4-(trifluoromethyl)nicotinic acid Formula: C20H21ClF3NO3 MolecularWeight: 415.83385

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C)OC1=C(C(=CC(=N1)C2=CC=C(C=C2)Cl)C(F)(F)F)C(=O)O

Isomeric SMILES

CC(C)CCC(C)OC1=C(C(=CC(=N1)C2=CC=C(C=C2)Cl)C(F)(F)F)C(=O)O

InChI

InChI=1S/C20H21ClF3NO3/c1-11(2)4-5-12(3)28-18-17(19(26)27)15(20(22,23)24)10-16(25-18)13-6-8-14(21)9-7-13/h6-12H,4-5H2,1-3H3,(H,26,27)