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

Systemtic Name: [3-fluoranyl-4-[2-(4-propylcyclohexyl)ethyl]phenyl] 4-heptylcyclohexane-1-carboxylate Openeye Name: [3-fluoro-4-[2-(4-propylcyclohexyl)ethyl]phenyl] 4-heptylcyclohexanecarboxylate CAS Name: 4-heptyl-1-cyclohexanecarboxylic acid [3-fluoro-4-[2-(4-propylcyclohexyl)ethyl]phenyl] ester IUPAC Name: [3-fluoro-4-[2-(4-propylcyclohexyl)ethyl]phenyl] 4-heptylcyclohexane-1-carboxylate Traditional Name: 4-heptylcyclohexanecarboxylic acid [3-fluoro-4-[2-(4-propylcyclohexyl)ethyl]phenyl] ester Formula: C31H49FO2 MolecularWeight: 472.717963

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H49FO2/c1-3-5-6-7-8-10-25-16-19-28(20-17-25)31(33)34-29-22-21-27(30(32)23-29)18-15-26-13-11-24(9-4-2)12-14-26/h21-26,28H,3-20H2,1-2H3