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

Systemtic Name: 3-fluoranyl-4-[2-[1-(4-pentylcyclohexyl)ethyl]phenyl]-4-(4-propylcyclohexyl)cyclohexane-1-carboxylate Openeye Name: 3-fluoro-4-[2-[1-(4-pentylcyclohexyl)ethyl]phenyl]-4-(4-propylcyclohexyl)cyclohexanecarboxylate CAS Name: 3-fluoro-4-[2-[1-(4-pentylcyclohexyl)ethyl]phenyl]-4-(4-propylcyclohexyl)-1-cyclohexanecarboxylate IUPAC Name: 3-fluoro-4-[2-[1-(4-pentylcyclohexyl)ethyl]phenyl]-4-(4-propylcyclohexyl)cyclohexane-1-carboxylate Traditional Name: 4-[2-[1-(4-amylcyclohexyl)ethyl]phenyl]-3-fluoro-4-(4-propylcyclohexyl)cyclohexanecarboxylate Formula: C35H54FO2- MolecularWeight: 525.800463

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C(C)C2=CC=CC=C2C3(CCC(CC3F)C(=O)[O-])C4CCC(CC4)CCC

Isomeric SMILES

CCCCCC1CCC(CC1)C(C)C2=CC=CC=C2C3(CCC(CC3F)C(=O)[O-])C4CCC(CC4)CCC

InChI

InChI=1S/C35H55FO2/c1-4-6-7-11-27-14-18-28(19-15-27)25(3)31-12-8-9-13-32(31)35(23-22-29(34(37)38)24-33(35)36)30-20-16-26(10-5-2)17-21-30/h8-9,12-13,25-30,33H,4-7,10-11,14-24H2,1-3H3,(H,37,38)/p-1