1-butyl-4-[2-(4-ethyl-3-fluoranyl-phenyl)ethynyl]bicyclo[2.2.2]octane

Systemtic Name: 1-butyl-4-[2-(4-ethyl-3-fluoranyl-phenyl)ethynyl]bicyclo[2.2.2]octane Openeye Name: 1-butyl-4-[2-(4-ethyl-3-fluoro-phenyl)ethynyl]bicyclo[2.2.2]octane CAS Name: 1-butyl-4-[2-(4-ethyl-3-fluorophenyl)ethynyl]bicyclo[2.2.2]octane IUPAC Name: 1-butyl-4-[2-(4-ethyl-3-fluorophenyl)ethynyl]bicyclo[2.2.2]octane Traditional Name: 1-butyl-4-[2-(4-ethyl-3-fluoro-phenyl)ethynyl]bicyclo[2.2.2]octane Formula: C22H29F MolecularWeight: 312.464063

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC12CCC(CC1)(CC2)C#CC3=CC(=C(C=C3)CC)F

Isomeric SMILES

CCCCC12CCC(CC1)(CC2)C#CC3=CC(=C(C=C3)CC)F

InChI

InChI=1S/C22H29F/c1-3-5-9-21-11-14-22(15-12-21,16-13-21)10-8-18-6-7-19(4-2)20(23)17-18/h6-7,17H,3-5,9,11-16H2,1-2H3