3-(4-heptylphenyl)-2-(4-pentylcyclohexyl)propanenitrile

Systemtic Name: 3-(4-heptylphenyl)-2-(4-pentylcyclohexyl)propanenitrile Openeye Name: 3-(4-heptylphenyl)-2-(4-pentylcyclohexyl)propanenitrile CAS Name: 3-(4-heptylphenyl)-2-(4-pentylcyclohexyl)propanenitrile IUPAC Name: 3-(4-heptylphenyl)-2-(4-pentylcyclohexyl)propanenitrile Traditional Name: 2-(4-amylcyclohexyl)-3-(4-heptylphenyl)propionitrile Formula: C27H43N MolecularWeight: 381.63702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H43N/c1-3-5-7-8-10-12-23-13-15-25(16-14-23)21-27(22-28)26-19-17-24(18-20-26)11-9-6-4-2/h13-16,24,26-27H,3-12,17-21H2,1-2H3