3-fluoranyl-4-[4-[2-(5-pentyl-1,3-dioxan-2-yl)ethyl]phenyl]benzenecarbonitrile

Systemtic Name: 3-fluoranyl-4-[4-[2-(5-pentyl-1,3-dioxan-2-yl)ethyl]phenyl]benzenecarbonitrile Openeye Name: 3-fluoro-4-[4-[2-(5-pentyl-1,3-dioxan-2-yl)ethyl]phenyl]benzonitrile CAS Name: 3-fluoro-4-[4-[2-(5-pentyl-1,3-dioxan-2-yl)ethyl]phenyl]benzonitrile IUPAC Name: 3-fluoro-4-[4-[2-(5-pentyl-1,3-dioxan-2-yl)ethyl]phenyl]benzonitrile Traditional Name: 4-[4-[2-(5-amyl-1,3-dioxan-2-yl)ethyl]phenyl]-3-fluoro-benzonitrile Formula: C24H28FNO2 MolecularWeight: 381.483023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1COC(OC1)CCC2=CC=C(C=C2)C3=C(C=C(C=C3)C#N)F

Isomeric SMILES

CCCCCC1COC(OC1)CCC2=CC=C(C=C2)C3=C(C=C(C=C3)C#N)F

InChI

InChI=1S/C24H28FNO2/c1-2-3-4-5-20-16-27-24(28-17-20)13-9-18-6-10-21(11-7-18)22-12-8-19(15-26)14-23(22)25/h6-8,10-12,14,20,24H,2-5,9,13,16-17H2,1H3