4-[2-(4-butoxyphenyl)ethynyl]-1-ethyl-bicyclo[2.2.2]octane

Systemtic Name: 4-[2-(4-butoxyphenyl)ethynyl]-1-ethyl-bicyclo[2.2.2]octane Openeye Name: 4-[2-(4-butoxyphenyl)ethynyl]-1-ethyl-bicyclo[2.2.2]octane CAS Name: 4-[2-(4-butoxyphenyl)ethynyl]-1-ethylbicyclo[2.2.2]octane IUPAC Name: 4-[2-(4-butoxyphenyl)ethynyl]-1-ethylbicyclo[2.2.2]octane Traditional Name: 4-[2-(4-butoxyphenyl)ethynyl]-1-ethyl-bicyclo[2.2.2]octane Formula: C22H30O MolecularWeight: 310.473

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C#CC23CCC(CC2)(CC3)CC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C#CC23CCC(CC2)(CC3)CC

InChI

InChI=1S/C22H30O/c1-3-5-18-23-20-8-6-19(7-9-20)10-11-22-15-12-21(4-2,13-16-22)14-17-22/h6-9H,3-5,12-18H2,1-2H3