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

Systemtic Name: (4-cyano-3-fluoranyl-phenyl) 4-(4-butyl-4-methyl-cyclohexyl)benzoate Openeye Name: (4-cyano-3-fluoro-phenyl) 4-(4-butyl-4-methyl-cyclohexyl)benzoate CAS Name: 4-(4-butyl-4-methylcyclohexyl)benzoic acid (4-cyano-3-fluorophenyl) ester IUPAC Name: (4-cyano-3-fluorophenyl) 4-(4-butyl-4-methylcyclohexyl)benzoate Traditional Name: 4-(4-butyl-4-methyl-cyclohexyl)benzoic acid (4-cyano-3-fluoro-phenyl) ester Formula: C25H28FNO2 MolecularWeight: 393.493723

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CCC(CC1)C2=CC=C(C=C2)C(=O)OC3=CC(=C(C=C3)C#N)F)C

Isomeric SMILES

CCCCC1(CCC(CC1)C2=CC=C(C=C2)C(=O)OC3=CC(=C(C=C3)C#N)F)C

InChI

InChI=1S/C25H28FNO2/c1-3-4-13-25(2)14-11-19(12-15-25)18-5-7-20(8-6-18)24(28)29-22-10-9-21(17-27)23(26)16-22/h5-10,16,19H,3-4,11-15H2,1-2H3