2-[[4-(2-fluoranyl-4-octoxy-phenyl)phenyl]methyl]-4-(4-heptylcyclohexyl)butanenitrile

Systemtic Name: 2-[[4-(2-fluoranyl-4-octoxy-phenyl)phenyl]methyl]-4-(4-heptylcyclohexyl)butanenitrile Openeye Name: 2-[[4-(2-fluoro-4-octoxy-phenyl)phenyl]methyl]-4-(4-heptylcyclohexyl)butanenitrile CAS Name: 2-[[4-(2-fluoro-4-octoxyphenyl)phenyl]methyl]-4-(4-heptylcyclohexyl)butanenitrile IUPAC Name: 2-[[4-(2-fluoro-4-octoxyphenyl)phenyl]methyl]-4-(4-heptylcyclohexyl)butanenitrile Traditional Name: 2-[4-(2-fluoro-4-octoxy-phenyl)benzyl]-4-(4-heptylcyclohexyl)butyronitrile Formula: C38H56FNO MolecularWeight: 561.855743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC(=C(C=C1)C2=CC=C(C=C2)CC(CCC3CCC(CC3)CCCCCCC)C#N)F

Isomeric SMILES

CCCCCCCCOC1=CC(=C(C=C1)C2=CC=C(C=C2)CC(CCC3CCC(CC3)CCCCCCC)C#N)F

InChI

InChI=1S/C38H56FNO/c1-3-5-7-9-11-13-27-41-36-25-26-37(38(39)29-36)35-23-21-33(22-24-35)28-34(30-40)20-19-32-17-15-31(16-18-32)14-12-10-8-6-4-2/h21-26,29,31-32,34H,3-20,27-28H2,1-2H3