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

Systemtic Name: 4-[2-(4-methoxyphenyl)ethynyl]-1-propyl-bicyclo[2.2.2]octane Openeye Name: 4-[2-(4-methoxyphenyl)ethynyl]-1-propyl-bicyclo[2.2.2]octane CAS Name: 4-[2-(4-methoxyphenyl)ethynyl]-1-propylbicyclo[2.2.2]octane IUPAC Name: 4-[2-(4-methoxyphenyl)ethynyl]-1-propylbicyclo[2.2.2]octane Traditional Name: 4-[2-(4-methoxyphenyl)ethynyl]-1-propyl-bicyclo[2.2.2]octane Formula: C20H26O MolecularWeight: 282.41984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26O/c1-3-9-19-11-14-20(15-12-19,16-13-19)10-8-17-4-6-18(21-2)7-5-17/h4-7H,3,9,11-16H2,1-2H3