(4-pentylcyclohexyl) 4-(2-fluoranyl-4-pentyl-phenyl)benzoate

Systemtic Name: (4-pentylcyclohexyl) 4-(2-fluoranyl-4-pentyl-phenyl)benzoate Openeye Name: (4-pentylcyclohexyl) 4-(2-fluoro-4-pentyl-phenyl)benzoate CAS Name: 4-(2-fluoro-4-pentylphenyl)benzoic acid (4-pentylcyclohexyl) ester IUPAC Name: (4-pentylcyclohexyl) 4-(2-fluoro-4-pentylphenyl)benzoate Traditional Name: 4-(4-amyl-2-fluoro-phenyl)benzoic acid (4-amylcyclohexyl) ester Formula: C29H39FO2 MolecularWeight: 438.617163

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)OC(=O)C2=CC=C(C=C2)C3=C(C=C(C=C3)CCCCC)F

Isomeric SMILES

CCCCCC1CCC(CC1)OC(=O)C2=CC=C(C=C2)C3=C(C=C(C=C3)CCCCC)F

InChI

InChI=1S/C29H39FO2/c1-3-5-7-9-22-11-18-26(19-12-22)32-29(31)25-16-14-24(15-17-25)27-20-13-23(21-28(27)30)10-8-6-4-2/h13-17,20-22,26H,3-12,18-19H2,1-2H3