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

Systemtic Name: 3-[4-[2-(4-but-3-enylcyclohexyl)ethyl]phenyl]prop-2-ynenitrile Openeye Name: 3-[4-[2-(4-but-3-enylcyclohexyl)ethyl]phenyl]prop-2-ynenitrile CAS Name: 3-[4-[2-(4-but-3-enylcyclohexyl)ethyl]phenyl]-2-propynenitrile IUPAC Name: 3-[4-[2-(4-but-3-enylcyclohexyl)ethyl]phenyl]prop-2-ynenitrile Traditional Name: 3-[4-[2-(4-but-3-enylcyclohexyl)ethyl]phenyl]propiolonitrile Formula: C21H25N MolecularWeight: 291.4299

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCC1CCC(CC1)CCC2=CC=C(C=C2)C#CC#N

Isomeric SMILES

C=CCCC1CCC(CC1)CCC2=CC=C(C=C2)C#CC#N

InChI

InChI=1S/C21H25N/c1-2-3-5-18-7-11-20(12-8-18)15-16-21-13-9-19(10-14-21)6-4-17-22/h2,9-10,13-14,18,20H,1,3,5,7-8,11-12,15-16H2