[3-fluoranyl-4-[2-(4-pentylcyclohexyl)ethyl]phenyl] 4-heptylcyclohexane-1-carboxylate

Systemtic Name: [3-fluoranyl-4-[2-(4-pentylcyclohexyl)ethyl]phenyl] 4-heptylcyclohexane-1-carboxylate Openeye Name: [3-fluoro-4-[2-(4-pentylcyclohexyl)ethyl]phenyl] 4-heptylcyclohexanecarboxylate CAS Name: 4-heptyl-1-cyclohexanecarboxylic acid [3-fluoro-4-[2-(4-pentylcyclohexyl)ethyl]phenyl] ester IUPAC Name: [3-fluoro-4-[2-(4-pentylcyclohexyl)ethyl]phenyl] 4-heptylcyclohexane-1-carboxylate Traditional Name: 4-heptylcyclohexanecarboxylic acid [4-[2-(4-amylcyclohexyl)ethyl]-3-fluoro-phenyl] ester Formula: C33H53FO2 MolecularWeight: 500.771123

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)C(=O)OC2=CC(=C(C=C2)CCC3CCC(CC3)CCCCC)F

Isomeric SMILES

CCCCCCCC1CCC(CC1)C(=O)OC2=CC(=C(C=C2)CCC3CCC(CC3)CCCCC)F

InChI

InChI=1S/C33H53FO2/c1-3-5-7-8-10-12-27-18-21-30(22-19-27)33(35)36-31-24-23-29(32(34)25-31)20-17-28-15-13-26(14-16-28)11-9-6-4-2/h23-28,30H,3-22H2,1-2H3