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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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