(4-pentylphenyl) 2-fluoranyl-4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate

Systemtic Name: (4-pentylphenyl) 2-fluoranyl-4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate Openeye Name: (4-pentylphenyl) 2-fluoro-4-(4-pentylcyclohexyl)cyclohexanecarboxylate CAS Name: 2-fluoro-4-(4-pentylcyclohexyl)-1-cyclohexanecarboxylic acid (4-pentylphenyl) ester IUPAC Name: (4-pentylphenyl) 2-fluoro-4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate Traditional Name: 4-(4-amylcyclohexyl)-2-fluoro-cyclohexanecarboxylic acid (4-amylphenyl) ester Formula: C29H45FO2 MolecularWeight: 444.664803

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C2CCC(C(C2)F)C(=O)OC3=CC=C(C=C3)CCCCC

Isomeric SMILES

CCCCCC1CCC(CC1)C2CCC(C(C2)F)C(=O)OC3=CC=C(C=C3)CCCCC

InChI

InChI=1S/C29H45FO2/c1-3-5-7-9-22-11-15-24(16-12-22)25-17-20-27(28(30)21-25)29(31)32-26-18-13-23(14-19-26)10-8-6-4-2/h13-14,18-19,22,24-25,27-28H,3-12,15-17,20-21H2,1-2H3