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

Systemtic Name: 3-[4-(4-octylphenyl)cyclohexyl]-2-(4-pentylcyclohexyl)propanenitrile Openeye Name: 3-[4-(4-octylphenyl)cyclohexyl]-2-(4-pentylcyclohexyl)propanenitrile CAS Name: 3-[4-(4-octylphenyl)cyclohexyl]-2-(4-pentylcyclohexyl)propanenitrile IUPAC Name: 3-[4-(4-octylphenyl)cyclohexyl]-2-(4-pentylcyclohexyl)propanenitrile Traditional Name: 2-(4-amylcyclohexyl)-3-[4-(4-octylphenyl)cyclohexyl]propionitrile Formula: C34H55N MolecularWeight: 477.8072

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2CCC(CC2)CC(C#N)C3CCC(CC3)CCCCC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2CCC(CC2)CC(C#N)C3CCC(CC3)CCCCC

InChI

InChI=1S/C34H55N/c1-3-5-7-8-9-11-13-29-14-20-31(21-15-29)32-24-18-30(19-25-32)26-34(27-35)33-22-16-28(17-23-33)12-10-6-4-2/h14-15,20-21,28,30,32-34H,3-13,16-19,22-26H2,1-2H3