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

Systemtic Name: [4-cyano-2,3-bis(fluoranyl)phenyl] 4-octoxycyclohexane-1-carboxylate Openeye Name: (4-cyano-2,3-difluoro-phenyl) 4-octoxycyclohexanecarboxylate CAS Name: 4-octoxy-1-cyclohexanecarboxylic acid (4-cyano-2,3-difluorophenyl) ester IUPAC Name: (4-cyano-2,3-difluorophenyl) 4-octoxycyclohexane-1-carboxylate Traditional Name: 4-octoxycyclohexanecarboxylic acid (4-cyano-2,3-difluoro-phenyl) ester Formula: C22H29F2NO3 MolecularWeight: 393.467366

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1CCC(CC1)C(=O)OC2=C(C(=C(C=C2)C#N)F)F

Isomeric SMILES

CCCCCCCCOC1CCC(CC1)C(=O)OC2=C(C(=C(C=C2)C#N)F)F

InChI

InChI=1S/C22H29F2NO3/c1-2-3-4-5-6-7-14-27-18-11-8-16(9-12-18)22(26)28-19-13-10-17(15-25)20(23)21(19)24/h10,13,16,18H,2-9,11-12,14H2,1H3