[4-cyano-3,5-bis(fluoranyl)phenyl] 4-(4-heptylcyclohexyl)cyclohexane-1-carboxylate

Systemtic Name: [4-cyano-3,5-bis(fluoranyl)phenyl] 4-(4-heptylcyclohexyl)cyclohexane-1-carboxylate Openeye Name: (4-cyano-3,5-difluoro-phenyl) 4-(4-heptylcyclohexyl)cyclohexanecarboxylate CAS Name: 4-(4-heptylcyclohexyl)-1-cyclohexanecarboxylic acid (4-cyano-3,5-difluorophenyl) ester IUPAC Name: (4-cyano-3,5-difluorophenyl) 4-(4-heptylcyclohexyl)cyclohexane-1-carboxylate Traditional Name: 4-(4-heptylcyclohexyl)cyclohexanecarboxylic acid (4-cyano-3,5-difluoro-phenyl) ester Formula: C27H37F2NO2 MolecularWeight: 445.584986

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)C2CCC(CC2)C(=O)OC3=CC(=C(C(=C3)F)C#N)F

Isomeric SMILES

CCCCCCCC1CCC(CC1)C2CCC(CC2)C(=O)OC3=CC(=C(C(=C3)F)C#N)F

InChI

InChI=1S/C27H37F2NO2/c1-2-3-4-5-6-7-19-8-10-20(11-9-19)21-12-14-22(15-13-21)27(31)32-23-16-25(28)24(18-30)26(29)17-23/h16-17,19-22H,2-15H2,1H3