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

Systemtic Name: (4-cyano-3-fluoranyl-phenyl) 4-(4-heptyl-4-methyl-cyclohexyl)benzoate Openeye Name: (4-cyano-3-fluoro-phenyl) 4-(4-heptyl-4-methyl-cyclohexyl)benzoate CAS Name: 4-(4-heptyl-4-methylcyclohexyl)benzoic acid (4-cyano-3-fluorophenyl) ester IUPAC Name: (4-cyano-3-fluorophenyl) 4-(4-heptyl-4-methylcyclohexyl)benzoate Traditional Name: 4-(4-heptyl-4-methyl-cyclohexyl)benzoic acid (4-cyano-3-fluoro-phenyl) ester Formula: C28H34FNO2 MolecularWeight: 435.573463

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1(CCC(CC1)C2=CC=C(C=C2)C(=O)OC3=CC(=C(C=C3)C#N)F)C

Isomeric SMILES

CCCCCCCC1(CCC(CC1)C2=CC=C(C=C2)C(=O)OC3=CC(=C(C=C3)C#N)F)C

InChI

InChI=1S/C28H34FNO2/c1-3-4-5-6-7-16-28(2)17-14-22(15-18-28)21-8-10-23(11-9-21)27(31)32-25-13-12-24(20-30)26(29)19-25/h8-13,19,22H,3-7,14-18H2,1-2H3