[6-(4-octoxyphenyl)pyridin-3-yl] 2-fluoranyl-4-pentyl-cyclohexane-1-carboxylate

Systemtic Name: [6-(4-octoxyphenyl)pyridin-3-yl] 2-fluoranyl-4-pentyl-cyclohexane-1-carboxylate Openeye Name: [6-(4-octoxyphenyl)-3-pyridyl] 2-fluoro-4-pentyl-cyclohexanecarboxylate CAS Name: 2-fluoro-4-pentyl-1-cyclohexanecarboxylic acid [6-(4-octoxyphenyl)-3-pyridinyl] ester IUPAC Name: [6-(4-octoxyphenyl)pyridin-3-yl] 2-fluoro-4-pentylcyclohexane-1-carboxylate Traditional Name: 4-amyl-2-fluoro-cyclohexanecarboxylic acid [6-(4-octoxyphenyl)-3-pyridyl] ester Formula: C31H44FNO3 MolecularWeight: 497.684363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=C2)OC(=O)C3CCC(CC3F)CCCCC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=C2)OC(=O)C3CCC(CC3F)CCCCC

InChI

InChI=1S/C31H44FNO3/c1-3-5-7-8-9-11-21-35-26-16-14-25(15-17-26)30-20-18-27(23-33-30)36-31(34)28-19-13-24(22-29(28)32)12-10-6-4-2/h14-18,20,23-24,28-29H,3-13,19,21-22H2,1-2H3