4-[2-(4-ethylphenyl)ethynyl]-1-propyl-bicyclo[2.2.2]octane

Systemtic Name: 4-[2-(4-ethylphenyl)ethynyl]-1-propyl-bicyclo[2.2.2]octane Openeye Name: 4-[2-(4-ethylphenyl)ethynyl]-1-propyl-bicyclo[2.2.2]octane CAS Name: 4-[2-(4-ethylphenyl)ethynyl]-1-propylbicyclo[2.2.2]octane IUPAC Name: 4-[2-(4-ethylphenyl)ethynyl]-1-propylbicyclo[2.2.2]octane Traditional Name: 4-[2-(4-ethylphenyl)ethynyl]-1-propyl-bicyclo[2.2.2]octane Formula: C21H28 MolecularWeight: 280.44702

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Descriptors Computed from Structure

Canonical SMILES:

CCCC12CCC(CC1)(CC2)C#CC3=CC=C(C=C3)CC

Isomeric SMILES

CCCC12CCC(CC1)(CC2)C#CC3=CC=C(C=C3)CC

InChI

InChI=1S/C21H28/c1-3-10-20-12-15-21(16-13-20,17-14-20)11-9-19-7-5-18(4-2)6-8-19/h5-8H,3-4,10,12-17H2,1-2H3