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

Systemtic Name: 3-(4-hexoxyphenyl)-2-(4-pentylcyclohexyl)propanenitrile Openeye Name: 3-(4-hexoxyphenyl)-2-(4-pentylcyclohexyl)propanenitrile CAS Name: 3-(4-hexoxyphenyl)-2-(4-pentylcyclohexyl)propanenitrile IUPAC Name: 3-(4-hexoxyphenyl)-2-(4-pentylcyclohexyl)propanenitrile Traditional Name: 2-(4-amylcyclohexyl)-3-(4-hexoxyphenyl)propionitrile Formula: C26H41NO MolecularWeight: 383.60984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)CC(C#N)C2CCC(CC2)CCCCC

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)CC(C#N)C2CCC(CC2)CCCCC

InChI

InChI=1S/C26H41NO/c1-3-5-7-9-19-28-26-17-13-23(14-18-26)20-25(21-27)24-15-11-22(12-16-24)10-8-6-4-2/h13-14,17-18,22,24-25H,3-12,15-16,19-20H2,1-2H3