3-(4-heptoxyphenyl)-2-(4-propylcyclohexyl)propanenitrile

Systemtic Name: 3-(4-heptoxyphenyl)-2-(4-propylcyclohexyl)propanenitrile Openeye Name: 3-(4-heptoxyphenyl)-2-(4-propylcyclohexyl)propanenitrile CAS Name: 3-(4-heptoxyphenyl)-2-(4-propylcyclohexyl)propanenitrile IUPAC Name: 3-(4-heptoxyphenyl)-2-(4-propylcyclohexyl)propanenitrile Traditional Name: 3-(4-heptoxyphenyl)-2-(4-propylcyclohexyl)propionitrile Formula: C25H39NO MolecularWeight: 369.58326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)CC(C#N)C2CCC(CC2)CCC

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)CC(C#N)C2CCC(CC2)CCC

InChI

InChI=1S/C25H39NO/c1-3-5-6-7-8-18-27-25-16-12-22(13-17-25)19-24(20-26)23-14-10-21(9-4-2)11-15-23/h12-13,16-17,21,23-24H,3-11,14-15,18-19H2,1-2H3