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

Systemtic Name: [4-cyano-2,3-bis(fluoranyl)phenyl] 4-(4-heptylphenyl)cyclohexane-1-carboxylate Openeye Name: (4-cyano-2,3-difluoro-phenyl) 4-(4-heptylphenyl)cyclohexanecarboxylate CAS Name: 4-(4-heptylphenyl)-1-cyclohexanecarboxylic acid (4-cyano-2,3-difluorophenyl) ester IUPAC Name: (4-cyano-2,3-difluorophenyl) 4-(4-heptylphenyl)cyclohexane-1-carboxylate Traditional Name: 4-(4-heptylphenyl)cyclohexanecarboxylic acid (4-cyano-2,3-difluoro-phenyl) ester Formula: C27H31F2NO2 MolecularWeight: 439.537346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2CCC(CC2)C(=O)OC3=C(C(=C(C=C3)C#N)F)F

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2CCC(CC2)C(=O)OC3=C(C(=C(C=C3)C#N)F)F

InChI

InChI=1S/C27H31F2NO2/c1-2-3-4-5-6-7-19-8-10-20(11-9-19)21-12-14-22(15-13-21)27(31)32-24-17-16-23(18-30)25(28)26(24)29/h8-11,16-17,21-22H,2-7,12-15H2,1H3