4-butyl-1-[6-(trifluoromethyl)pyridin-3-yl]oxycarbonyl-cyclohexane-1-carboxylic acid

Systemtic Name: 4-butyl-1-[6-(trifluoromethyl)pyridin-3-yl]oxycarbonyl-cyclohexane-1-carboxylic acid Openeye Name: 4-butyl-1-[[6-(trifluoromethyl)-3-pyridyl]oxycarbonyl]cyclohexanecarboxylic acid CAS Name: 4-butyl-1-[oxo-[[6-(trifluoromethyl)-3-pyridinyl]oxy]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-butyl-1-[6-(trifluoromethyl)pyridin-3-yl]oxycarbonylcyclohexane-1-carboxylic acid Traditional Name: 4-butyl-1-[[6-(trifluoromethyl)-3-pyridyl]oxycarbonyl]cyclohexanecarboxylic acid Formula: C18H22F3NO4 MolecularWeight: 373.36679

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)(C(=O)O)C(=O)OC2=CN=C(C=C2)C(F)(F)F

Isomeric SMILES

CCCCC1CCC(CC1)(C(=O)O)C(=O)OC2=CN=C(C=C2)C(F)(F)F

InChI

InChI=1S/C18H22F3NO4/c1-2-3-4-12-7-9-17(10-8-12,15(23)24)16(25)26-13-5-6-14(22-11-13)18(19,20)21/h5-6,11-12H,2-4,7-10H2,1H3,(H,23,24)