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

Systemtic Name: [4-cyano-2,3-bis(fluoranyl)phenyl] 4-(4-pentylphenyl)cyclohexane-1-carboxylate Openeye Name: (4-cyano-2,3-difluoro-phenyl) 4-(4-pentylphenyl)cyclohexanecarboxylate CAS Name: 4-(4-pentylphenyl)-1-cyclohexanecarboxylic acid (4-cyano-2,3-difluorophenyl) ester IUPAC Name: (4-cyano-2,3-difluorophenyl) 4-(4-pentylphenyl)cyclohexane-1-carboxylate Traditional Name: 4-(4-amylphenyl)cyclohexanecarboxylic acid (4-cyano-2,3-difluoro-phenyl) ester Formula: C25H27F2NO2 MolecularWeight: 411.484186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2CCC(CC2)C(=O)OC3=C(C(=C(C=C3)C#N)F)F

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2CCC(CC2)C(=O)OC3=C(C(=C(C=C3)C#N)F)F

InChI

InChI=1S/C25H27F2NO2/c1-2-3-4-5-17-6-8-18(9-7-17)19-10-12-20(13-11-19)25(29)30-22-15-14-21(16-28)23(26)24(22)27/h6-9,14-15,19-20H,2-5,10-13H2,1H3