1-butyl-4-[2-(4-methoxyphenyl)ethynyl]bicyclo[2.2.2]octane

Systemtic Name: 1-butyl-4-[2-(4-methoxyphenyl)ethynyl]bicyclo[2.2.2]octane Openeye Name: 1-butyl-4-[2-(4-methoxyphenyl)ethynyl]bicyclo[2.2.2]octane CAS Name: 1-butyl-4-[2-(4-methoxyphenyl)ethynyl]bicyclo[2.2.2]octane IUPAC Name: 1-butyl-4-[2-(4-methoxyphenyl)ethynyl]bicyclo[2.2.2]octane Traditional Name: 1-butyl-4-[2-(4-methoxyphenyl)ethynyl]bicyclo[2.2.2]octane Formula: C21H28O MolecularWeight: 296.44642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28O/c1-3-4-10-20-12-15-21(16-13-20,17-14-20)11-9-18-5-7-19(22-2)8-6-18/h5-8H,3-4,10,12-17H2,1-2H3