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

Systemtic Name: (4-cyano-3-fluoranyl-phenyl) 4-(4-methyl-4-pentyl-cyclohexyl)benzoate Openeye Name: (4-cyano-3-fluoro-phenyl) 4-(4-methyl-4-pentyl-cyclohexyl)benzoate CAS Name: 4-(4-methyl-4-pentylcyclohexyl)benzoic acid (4-cyano-3-fluorophenyl) ester IUPAC Name: (4-cyano-3-fluorophenyl) 4-(4-methyl-4-pentylcyclohexyl)benzoate Traditional Name: 4-(4-amyl-4-methyl-cyclohexyl)benzoic acid (4-cyano-3-fluoro-phenyl) ester Formula: C26H30FNO2 MolecularWeight: 407.520303

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(CCC(CC1)C2=CC=C(C=C2)C(=O)OC3=CC(=C(C=C3)C#N)F)C

Isomeric SMILES

CCCCCC1(CCC(CC1)C2=CC=C(C=C2)C(=O)OC3=CC(=C(C=C3)C#N)F)C

InChI

InChI=1S/C26H30FNO2/c1-3-4-5-14-26(2)15-12-20(13-16-26)19-6-8-21(9-7-19)25(29)30-23-11-10-22(18-28)24(27)17-23/h6-11,17,20H,3-5,12-16H2,1-2H3