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

Systemtic Name: [4-cyano-2,3-bis(fluoranyl)phenyl] 4-(4-hexoxycyclohexyl)cyclohexane-1-carboxylate Openeye Name: (4-cyano-2,3-difluoro-phenyl) 4-(4-hexoxycyclohexyl)cyclohexanecarboxylate CAS Name: 4-(4-hexoxycyclohexyl)-1-cyclohexanecarboxylic acid (4-cyano-2,3-difluorophenyl) ester IUPAC Name: (4-cyano-2,3-difluorophenyl) 4-(4-hexoxycyclohexyl)cyclohexane-1-carboxylate Traditional Name: 4-(4-hexoxycyclohexyl)cyclohexanecarboxylic acid (4-cyano-2,3-difluoro-phenyl) ester Formula: C26H35F2NO3 MolecularWeight: 447.557806

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1CCC(CC1)C2CCC(CC2)C(=O)OC3=C(C(=C(C=C3)C#N)F)F

Isomeric SMILES

CCCCCCOC1CCC(CC1)C2CCC(CC2)C(=O)OC3=C(C(=C(C=C3)C#N)F)F

InChI

InChI=1S/C26H35F2NO3/c1-2-3-4-5-16-31-22-13-10-19(11-14-22)18-6-8-20(9-7-18)26(30)32-23-15-12-21(17-29)24(27)25(23)28/h12,15,18-20,22H,2-11,13-14,16H2,1H3