(4-cyano-4-heptyl-cyclohexyl) 3-fluoranyl-4-(4-heptylphenyl)benzoate

Systemtic Name: (4-cyano-4-heptyl-cyclohexyl) 3-fluoranyl-4-(4-heptylphenyl)benzoate Openeye Name: (4-cyano-4-heptyl-cyclohexyl) 3-fluoro-4-(4-heptylphenyl)benzoate CAS Name: 3-fluoro-4-(4-heptylphenyl)benzoic acid (4-cyano-4-heptylcyclohexyl) ester IUPAC Name: (4-cyano-4-heptylcyclohexyl) 3-fluoro-4-(4-heptylphenyl)benzoate Traditional Name: 3-fluoro-4-(4-heptylphenyl)benzoic acid (4-cyano-4-heptyl-cyclohexyl) ester Formula: C34H46FNO2 MolecularWeight: 519.732943

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=C(C=C(C=C2)C(=O)OC3CCC(CC3)(CCCCCCC)C#N)F

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=C(C=C(C=C2)C(=O)OC3CCC(CC3)(CCCCCCC)C#N)F

InChI

InChI=1S/C34H46FNO2/c1-3-5-7-9-11-13-27-14-16-28(17-15-27)31-19-18-29(25-32(31)35)33(37)38-30-20-23-34(26-36,24-21-30)22-12-10-8-6-4-2/h14-19,25,30H,3-13,20-24H2,1-2H3