(4-cyano-3-fluoranyl-phenyl) 4-(4-hexyl-4-methyl-cyclohexyl)benzoate

Systemtic Name: (4-cyano-3-fluoranyl-phenyl) 4-(4-hexyl-4-methyl-cyclohexyl)benzoate Openeye Name: (4-cyano-3-fluoro-phenyl) 4-(4-hexyl-4-methyl-cyclohexyl)benzoate CAS Name: 4-(4-hexyl-4-methylcyclohexyl)benzoic acid (4-cyano-3-fluorophenyl) ester IUPAC Name: (4-cyano-3-fluorophenyl) 4-(4-hexyl-4-methylcyclohexyl)benzoate Traditional Name: 4-(4-hexyl-4-methyl-cyclohexyl)benzoic acid (4-cyano-3-fluoro-phenyl) ester Formula: C27H32FNO2 MolecularWeight: 421.546883

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1(CCC(CC1)C2=CC=C(C=C2)C(=O)OC3=CC(=C(C=C3)C#N)F)C

Isomeric SMILES

CCCCCCC1(CCC(CC1)C2=CC=C(C=C2)C(=O)OC3=CC(=C(C=C3)C#N)F)C

InChI

InChI=1S/C27H32FNO2/c1-3-4-5-6-15-27(2)16-13-21(14-17-27)20-7-9-22(10-8-20)26(30)31-24-12-11-23(19-29)25(28)18-24/h7-12,18,21H,3-6,13-17H2,1-2H3