[6-(3-fluoranyl-4-octoxy-phenyl)pyridin-3-yl] 4-(4-methylpentyl)cyclohexane-1-carboxylate

Systemtic Name: [6-(3-fluoranyl-4-octoxy-phenyl)pyridin-3-yl] 4-(4-methylpentyl)cyclohexane-1-carboxylate Openeye Name: [6-(3-fluoro-4-octoxy-phenyl)-3-pyridyl] 4-isohexylcyclohexanecarboxylate CAS Name: 4-(4-methylpentyl)-1-cyclohexanecarboxylic acid [6-(3-fluoro-4-octoxyphenyl)-3-pyridinyl] ester IUPAC Name: [6-(3-fluoro-4-octoxyphenyl)pyridin-3-yl] 4-(4-methylpentyl)cyclohexane-1-carboxylate Traditional Name: 4-isohexylcyclohexanecarboxylic acid [6-(3-fluoro-4-octoxy-phenyl)-3-pyridyl] ester Formula: C32H46FNO3 MolecularWeight: 511.710943

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C2=NC=C(C=C2)OC(=O)C3CCC(CC3)CCCC(C)C)F

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)C2=NC=C(C=C2)OC(=O)C3CCC(CC3)CCCC(C)C)F

InChI

InChI=1S/C32H46FNO3/c1-4-5-6-7-8-9-21-36-31-20-17-27(22-29(31)33)30-19-18-28(23-34-30)37-32(35)26-15-13-25(14-16-26)12-10-11-24(2)3/h17-20,22-26H,4-16,21H2,1-3H3