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

Systemtic Name: 3-[4-[2-(4-pentylcyclohexyl)ethyl]phenyl]prop-2-ynenitrile Openeye Name: 3-[4-[2-(4-pentylcyclohexyl)ethyl]phenyl]prop-2-ynenitrile CAS Name: 3-[4-[2-(4-pentylcyclohexyl)ethyl]phenyl]-2-propynenitrile IUPAC Name: 3-[4-[2-(4-pentylcyclohexyl)ethyl]phenyl]prop-2-ynenitrile Traditional Name: 3-[4-[2-(4-amylcyclohexyl)ethyl]phenyl]propiolonitrile Formula: C22H29N MolecularWeight: 307.47236

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)CCC2=CC=C(C=C2)C#CC#N

Isomeric SMILES

CCCCCC1CCC(CC1)CCC2=CC=C(C=C2)C#CC#N

InChI

InChI=1S/C22H29N/c1-2-3-4-6-19-8-12-21(13-9-19)16-17-22-14-10-20(11-15-22)7-5-18-23/h10-11,14-15,19,21H,2-4,6,8-9,12-13,16-17H2,1H3