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

Systemtic Name: 1-butyl-4-[2-(4-ethoxyphenyl)ethynyl]bicyclo[2.2.2]octane Openeye Name: 1-butyl-4-[2-(4-ethoxyphenyl)ethynyl]bicyclo[2.2.2]octane CAS Name: 1-butyl-4-[2-(4-ethoxyphenyl)ethynyl]bicyclo[2.2.2]octane IUPAC Name: 1-butyl-4-[2-(4-ethoxyphenyl)ethynyl]bicyclo[2.2.2]octane Traditional Name: 1-butyl-4-(2-p-phenetylethynyl)bicyclo[2.2.2]octane Formula: C22H30O MolecularWeight: 310.473

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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