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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2CC(CC(C2C(=O)OC3=CN=CC=C3)F)CCCCC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2CC(CC(C2C(=O)OC3=CN=CC=C3)F)CCCCC

InChI

InChI=1S/C31H44FNO3/c1-3-5-7-8-9-11-20-35-26-17-15-25(16-18-26)28-21-24(13-10-6-4-2)22-29(32)30(28)31(34)36-27-14-12-19-33-23-27/h12,14-19,23-24,28-30H,3-11,13,20-22H2,1-2H3