4-[2-(3-fluoranyl-4-propyl-phenyl)ethynyl]-1-hexyl-bicyclo[2.2.2]octane

Systemtic Name: 4-[2-(3-fluoranyl-4-propyl-phenyl)ethynyl]-1-hexyl-bicyclo[2.2.2]octane Openeye Name: 4-[2-(3-fluoro-4-propyl-phenyl)ethynyl]-1-hexyl-bicyclo[2.2.2]octane CAS Name: 4-[2-(3-fluoro-4-propylphenyl)ethynyl]-1-hexylbicyclo[2.2.2]octane IUPAC Name: 4-[2-(3-fluoro-4-propylphenyl)ethynyl]-1-hexylbicyclo[2.2.2]octane Traditional Name: 4-[2-(3-fluoro-4-propyl-phenyl)ethynyl]-1-hexyl-bicyclo[2.2.2]octane Formula: C25H35F MolecularWeight: 354.543803

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC12CCC(CC1)(CC2)C#CC3=CC(=C(C=C3)CCC)F

Isomeric SMILES

CCCCCCC12CCC(CC1)(CC2)C#CC3=CC(=C(C=C3)CCC)F

InChI

InChI=1S/C25H35F/c1-3-5-6-7-12-24-14-17-25(18-15-24,19-16-24)13-11-21-9-10-22(8-4-2)23(26)20-21/h9-10,20H,3-8,12,14-19H2,1-2H3