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

Systemtic Name: [4-cyano-2,3-bis(fluoranyl)phenyl] 4-octylcyclohexane-1-carboxylate Openeye Name: (4-cyano-2,3-difluoro-phenyl) 4-octylcyclohexanecarboxylate CAS Name: 4-octyl-1-cyclohexanecarboxylic acid (4-cyano-2,3-difluorophenyl) ester IUPAC Name: (4-cyano-2,3-difluorophenyl) 4-octylcyclohexane-1-carboxylate Traditional Name: 4-octylcyclohexanecarboxylic acid (4-cyano-2,3-difluoro-phenyl) ester Formula: C22H29F2NO2 MolecularWeight: 377.467966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CCC(CC1)C(=O)OC2=C(C(=C(C=C2)C#N)F)F

Isomeric SMILES

CCCCCCCCC1CCC(CC1)C(=O)OC2=C(C(=C(C=C2)C#N)F)F

InChI

InChI=1S/C22H29F2NO2/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)22(26)27-19-14-13-18(15-25)20(23)21(19)24/h13-14,16-17H,2-12H2,1H3