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

Systemtic Name: (4-cyano-4-heptyl-cyclohexyl) 3-fluoranyl-4-(4-octoxyphenyl)benzoate Openeye Name: (4-cyano-4-heptyl-cyclohexyl) 3-fluoro-4-(4-octoxyphenyl)benzoate CAS Name: 3-fluoro-4-(4-octoxyphenyl)benzoic acid (4-cyano-4-heptylcyclohexyl) ester IUPAC Name: (4-cyano-4-heptylcyclohexyl) 3-fluoro-4-(4-octoxyphenyl)benzoate Traditional Name: 3-fluoro-4-(4-octoxyphenyl)benzoic acid (4-cyano-4-heptyl-cyclohexyl) ester Formula: C35H48FNO3 MolecularWeight: 549.758923

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=C(C=C(C=C2)C(=O)OC3CCC(CC3)(CCCCCCC)C#N)F

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=C(C=C(C=C2)C(=O)OC3CCC(CC3)(CCCCCCC)C#N)F

InChI

InChI=1S/C35H48FNO3/c1-3-5-7-9-11-13-25-39-30-17-14-28(15-18-30)32-19-16-29(26-33(32)36)34(38)40-31-20-23-35(27-37,24-21-31)22-12-10-8-6-4-2/h14-19,26,31H,3-13,20-25H2,1-2H3