(4-ethoxyphenyl) 4-(4-butylcyclohexyl)-2,3-bis(fluoranyl)cyclohexane-1-carboxylate

Systemtic Name: (4-ethoxyphenyl) 4-(4-butylcyclohexyl)-2,3-bis(fluoranyl)cyclohexane-1-carboxylate Openeye Name: (4-ethoxyphenyl) 4-(4-butylcyclohexyl)-2,3-difluoro-cyclohexanecarboxylate CAS Name: 4-(4-butylcyclohexyl)-2,3-difluoro-1-cyclohexanecarboxylic acid (4-ethoxyphenyl) ester IUPAC Name: (4-ethoxyphenyl) 4-(4-butylcyclohexyl)-2,3-difluorocyclohexane-1-carboxylate Traditional Name: 4-(4-butylcyclohexyl)-2,3-difluoro-cyclohexanecarboxylic acid p-phenetyl ester Formula: C25H36F2O3 MolecularWeight: 422.548346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C2CCC(C(C2F)F)C(=O)OC3=CC=C(C=C3)OCC

Isomeric SMILES

CCCCC1CCC(CC1)C2CCC(C(C2F)F)C(=O)OC3=CC=C(C=C3)OCC

InChI

InChI=1S/C25H36F2O3/c1-3-5-6-17-7-9-18(10-8-17)21-15-16-22(24(27)23(21)26)25(28)30-20-13-11-19(12-14-20)29-4-2/h11-14,17-18,21-24H,3-10,15-16H2,1-2H3