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

Systemtic Name: 3-[4-[2-(4-hexylcyclohexyl)ethyl]phenyl]prop-2-ynenitrile Openeye Name: 3-[4-[2-(4-hexylcyclohexyl)ethyl]phenyl]prop-2-ynenitrile CAS Name: 3-[4-[2-(4-hexylcyclohexyl)ethyl]phenyl]-2-propynenitrile IUPAC Name: 3-[4-[2-(4-hexylcyclohexyl)ethyl]phenyl]prop-2-ynenitrile Traditional Name: 3-[4-[2-(4-hexylcyclohexyl)ethyl]phenyl]propiolonitrile Formula: C23H31N MolecularWeight: 321.49894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CCC(CC1)CCC2=CC=C(C=C2)C#CC#N

Isomeric SMILES

CCCCCCC1CCC(CC1)CCC2=CC=C(C=C2)C#CC#N

InChI

InChI=1S/C23H31N/c1-2-3-4-5-7-20-9-13-22(14-10-20)17-18-23-15-11-21(12-16-23)8-6-19-24/h11-12,15-16,20,22H,2-5,7,9-10,13-14,17-18H2,1H3