[4-cyano-2,3-bis(fluoranyl)phenyl] 4-(4-heptoxycyclohexyl)cyclohexane-1-carboxylate

Systemtic Name: [4-cyano-2,3-bis(fluoranyl)phenyl] 4-(4-heptoxycyclohexyl)cyclohexane-1-carboxylate Openeye Name: (4-cyano-2,3-difluoro-phenyl) 4-(4-heptoxycyclohexyl)cyclohexanecarboxylate CAS Name: 4-(4-heptoxycyclohexyl)-1-cyclohexanecarboxylic acid (4-cyano-2,3-difluorophenyl) ester IUPAC Name: (4-cyano-2,3-difluorophenyl) 4-(4-heptoxycyclohexyl)cyclohexane-1-carboxylate Traditional Name: 4-(4-heptoxycyclohexyl)cyclohexanecarboxylic acid (4-cyano-2,3-difluoro-phenyl) ester Formula: C27H37F2NO3 MolecularWeight: 461.584386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1CCC(CC1)C2CCC(CC2)C(=O)OC3=C(C(=C(C=C3)C#N)F)F

Isomeric SMILES

CCCCCCCOC1CCC(CC1)C2CCC(CC2)C(=O)OC3=C(C(=C(C=C3)C#N)F)F

InChI

InChI=1S/C27H37F2NO3/c1-2-3-4-5-6-17-32-23-14-11-20(12-15-23)19-7-9-21(10-8-19)27(31)33-24-16-13-22(18-30)25(28)26(24)29/h13,16,19-21,23H,2-12,14-15,17H2,1H3