3-[4-[2-(4-butylcyclohexyl)ethyl]phenyl]prop-2-ynenitrile

Systemtic Name: 3-[4-[2-(4-butylcyclohexyl)ethyl]phenyl]prop-2-ynenitrile Openeye Name: 3-[4-[2-(4-butylcyclohexyl)ethyl]phenyl]prop-2-ynenitrile CAS Name: 3-[4-[2-(4-butylcyclohexyl)ethyl]phenyl]-2-propynenitrile IUPAC Name: 3-[4-[2-(4-butylcyclohexyl)ethyl]phenyl]prop-2-ynenitrile Traditional Name: 3-[4-[2-(4-butylcyclohexyl)ethyl]phenyl]propiolonitrile Formula: C21H27N MolecularWeight: 293.44578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)CCC2=CC=C(C=C2)C#CC#N

Isomeric SMILES

CCCCC1CCC(CC1)CCC2=CC=C(C=C2)C#CC#N

InChI

InChI=1S/C21H27N/c1-2-3-5-18-7-11-20(12-8-18)15-16-21-13-9-19(10-14-21)6-4-17-22/h9-10,13-14,18,20H,2-3,5,7-8,11-12,15-16H2,1H3