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

Systemtic Name: (4-pentylcyclohexyl) 4-(2-fluoranyl-4-propyl-phenyl)benzoate Openeye Name: (4-pentylcyclohexyl) 4-(2-fluoro-4-propyl-phenyl)benzoate CAS Name: 4-(2-fluoro-4-propylphenyl)benzoic acid (4-pentylcyclohexyl) ester IUPAC Name: (4-pentylcyclohexyl) 4-(2-fluoro-4-propylphenyl)benzoate Traditional Name: 4-(2-fluoro-4-propyl-phenyl)benzoic acid (4-amylcyclohexyl) ester Formula: C27H35FO2 MolecularWeight: 410.564003

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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)CCC)F

Isomeric SMILES

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

InChI

InChI=1S/C27H35FO2/c1-3-5-6-8-20-9-16-24(17-10-20)30-27(29)23-14-12-22(13-15-23)25-18-11-21(7-4-2)19-26(25)28/h11-15,18-20,24H,3-10,16-17H2,1-2H3