(4-cyano-4-heptyl-cyclohexyl) 4-(2-fluoranyl-4-octoxy-phenyl)benzoate

Systemtic Name: (4-cyano-4-heptyl-cyclohexyl) 4-(2-fluoranyl-4-octoxy-phenyl)benzoate Openeye Name: (4-cyano-4-heptyl-cyclohexyl) 4-(2-fluoro-4-octoxy-phenyl)benzoate CAS Name: 4-(2-fluoro-4-octoxyphenyl)benzoic acid (4-cyano-4-heptylcyclohexyl) ester IUPAC Name: (4-cyano-4-heptylcyclohexyl) 4-(2-fluoro-4-octoxyphenyl)benzoate Traditional Name: 4-(2-fluoro-4-octoxy-phenyl)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=CC=C(C=C2)C(=O)OC3CCC(CC3)(CCCCCCC)C#N)F

Isomeric SMILES

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

InChI

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