2-(4-heptylcyclohexyl)-3-(4-hexylphenyl)propanenitrile

Systemtic Name: 2-(4-heptylcyclohexyl)-3-(4-hexylphenyl)propanenitrile Openeye Name: 2-(4-heptylcyclohexyl)-3-(4-hexylphenyl)propanenitrile CAS Name: 2-(4-heptylcyclohexyl)-3-(4-hexylphenyl)propanenitrile IUPAC Name: 2-(4-heptylcyclohexyl)-3-(4-hexylphenyl)propanenitrile Traditional Name: 2-(4-heptylcyclohexyl)-3-(4-hexylphenyl)propionitrile Formula: C28H45N MolecularWeight: 395.6636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)C(CC2=CC=C(C=C2)CCCCCC)C#N

Isomeric SMILES

CCCCCCCC1CCC(CC1)C(CC2=CC=C(C=C2)CCCCCC)C#N

InChI

InChI=1S/C28H45N/c1-3-5-7-9-11-13-25-18-20-27(21-19-25)28(23-29)22-26-16-14-24(15-17-26)12-10-8-6-4-2/h14-17,25,27-28H,3-13,18-22H2,1-2H3