4-[4-[2-(4-heptylcyclohexyl)ethyl]phenyl]-1-pentyl-cyclohexane-1-carbonitrile

Systemtic Name: 4-[4-[2-(4-heptylcyclohexyl)ethyl]phenyl]-1-pentyl-cyclohexane-1-carbonitrile Openeye Name: 4-[4-[2-(4-heptylcyclohexyl)ethyl]phenyl]-1-pentyl-cyclohexanecarbonitrile CAS Name: 4-[4-[2-(4-heptylcyclohexyl)ethyl]phenyl]-1-pentyl-1-cyclohexanecarbonitrile IUPAC Name: 4-[4-[2-(4-heptylcyclohexyl)ethyl]phenyl]-1-pentylcyclohexane-1-carbonitrile Traditional Name: 1-amyl-4-[4-[2-(4-heptylcyclohexyl)ethyl]phenyl]cyclohexanecarbonitrile Formula: C33H53N MolecularWeight: 463.78062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)CCC2=CC=C(C=C2)C3CCC(CC3)(CCCCC)C#N

Isomeric SMILES

CCCCCCCC1CCC(CC1)CCC2=CC=C(C=C2)C3CCC(CC3)(CCCCC)C#N

InChI

InChI=1S/C33H53N/c1-3-5-7-8-9-11-28-12-14-29(15-13-28)16-17-30-18-20-31(21-19-30)32-22-25-33(27-34,26-23-32)24-10-6-4-2/h18-21,28-29,32H,3-17,22-26H2,1-2H3