3-[4-(4-heptylphenyl)cyclohexyl]-2-(4-pentylcyclohexyl)propanenitrile

Systemtic Name: 3-[4-(4-heptylphenyl)cyclohexyl]-2-(4-pentylcyclohexyl)propanenitrile Openeye Name: 3-[4-(4-heptylphenyl)cyclohexyl]-2-(4-pentylcyclohexyl)propanenitrile CAS Name: 3-[4-(4-heptylphenyl)cyclohexyl]-2-(4-pentylcyclohexyl)propanenitrile IUPAC Name: 3-[4-(4-heptylphenyl)cyclohexyl]-2-(4-pentylcyclohexyl)propanenitrile Traditional Name: 2-(4-amylcyclohexyl)-3-[4-(4-heptylphenyl)cyclohexyl]propionitrile Formula: C33H53N MolecularWeight: 463.78062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2CCC(CC2)CC(C#N)C3CCC(CC3)CCCCC

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2CCC(CC2)CC(C#N)C3CCC(CC3)CCCCC

InChI

InChI=1S/C33H53N/c1-3-5-7-8-10-12-28-13-19-30(20-14-28)31-23-17-29(18-24-31)25-33(26-34)32-21-15-27(16-22-32)11-9-6-4-2/h13-14,19-20,27,29,31-33H,3-12,15-18,21-25H2,1-2H3