1-butyl-4-[2-(2-fluoranyl-4-pentyl-phenyl)phenyl]bicyclo[2.2.2]octane

Systemtic Name: 1-butyl-4-[2-(2-fluoranyl-4-pentyl-phenyl)phenyl]bicyclo[2.2.2]octane Openeye Name: 1-butyl-4-[2-(2-fluoro-4-pentyl-phenyl)phenyl]bicyclo[2.2.2]octane CAS Name: 1-butyl-4-[2-(2-fluoro-4-pentylphenyl)phenyl]bicyclo[2.2.2]octane IUPAC Name: 1-butyl-4-[2-(2-fluoro-4-pentylphenyl)phenyl]bicyclo[2.2.2]octane Traditional Name: 4-[2-(4-amyl-2-fluoro-phenyl)phenyl]-1-butyl-bicyclo[2.2.2]octane Formula: C29H39F MolecularWeight: 406.618363

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C(C=C1)C2=CC=CC=C2C34CCC(CC3)(CC4)CCCC)F

Isomeric SMILES

CCCCCC1=CC(=C(C=C1)C2=CC=CC=C2C34CCC(CC3)(CC4)CCCC)F

InChI

InChI=1S/C29H39F/c1-3-5-7-10-23-13-14-25(27(30)22-23)24-11-8-9-12-26(24)29-19-16-28(17-20-29,18-21-29)15-6-4-2/h8-9,11-14,22H,3-7,10,15-21H2,1-2H3