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

Systemtic Name: [4-cyano-2,3-bis(fluoranyl)phenyl] 4-(4-octoxyphenyl)cyclohexane-1-carboxylate Openeye Name: (4-cyano-2,3-difluoro-phenyl) 4-(4-octoxyphenyl)cyclohexanecarboxylate CAS Name: 4-(4-octoxyphenyl)-1-cyclohexanecarboxylic acid (4-cyano-2,3-difluorophenyl) ester IUPAC Name: (4-cyano-2,3-difluorophenyl) 4-(4-octoxyphenyl)cyclohexane-1-carboxylate Traditional Name: 4-(4-octoxyphenyl)cyclohexanecarboxylic acid (4-cyano-2,3-difluoro-phenyl) ester Formula: C28H33F2NO3 MolecularWeight: 469.563326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2CCC(CC2)C(=O)OC3=C(C(=C(C=C3)C#N)F)F

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2CCC(CC2)C(=O)OC3=C(C(=C(C=C3)C#N)F)F

InChI

InChI=1S/C28H33F2NO3/c1-2-3-4-5-6-7-18-33-24-15-12-21(13-16-24)20-8-10-22(11-9-20)28(32)34-25-17-14-23(19-31)26(29)27(25)30/h12-17,20,22H,2-11,18H2,1H3