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

Systemtic Name: 4-[2-(4-propoxyphenyl)ethynyl]-1-propyl-bicyclo[2.2.2]octane Openeye Name: 4-[2-(4-propoxyphenyl)ethynyl]-1-propyl-bicyclo[2.2.2]octane CAS Name: 4-[2-(4-propoxyphenyl)ethynyl]-1-propylbicyclo[2.2.2]octane IUPAC Name: 4-[2-(4-propoxyphenyl)ethynyl]-1-propylbicyclo[2.2.2]octane Traditional Name: 4-[2-(4-propoxyphenyl)ethynyl]-1-propyl-bicyclo[2.2.2]octane Formula: C22H30O MolecularWeight: 310.473

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30O/c1-3-10-21-12-15-22(16-13-21,17-14-21)11-9-19-5-7-20(8-6-19)23-18-4-2/h5-8H,3-4,10,12-18H2,1-2H3