4-[2-(4-heptylcyclohexen-1-yl)ethyl]benzenecarbonitrile

Systemtic Name: 4-[2-(4-heptylcyclohexen-1-yl)ethyl]benzenecarbonitrile Openeye Name: 4-[2-(4-heptylcyclohexen-1-yl)ethyl]benzonitrile CAS Name: 4-[2-(4-heptyl-1-cyclohexenyl)ethyl]benzonitrile IUPAC Name: 4-[2-(4-heptylcyclohexen-1-yl)ethyl]benzonitrile Traditional Name: 4-[2-(4-heptylcyclohexen-1-yl)ethyl]benzonitrile Formula: C22H31N MolecularWeight: 309.48824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(=CC1)CCC2=CC=C(C=C2)C#N

Isomeric SMILES

CCCCCCCC1CCC(=CC1)CCC2=CC=C(C=C2)C#N

InChI

InChI=1S/C22H31N/c1-2-3-4-5-6-7-19-8-10-20(11-9-19)12-13-21-14-16-22(18-23)17-15-21/h10,14-17,19H,2-9,11-13H2,1H3