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

Systemtic Name: 2-fluoranyl-4-[4-[2-(5-hexyl-1,3-dioxan-2-yl)ethyl]phenyl]benzenecarbonitrile Openeye Name: 2-fluoro-4-[4-[2-(5-hexyl-1,3-dioxan-2-yl)ethyl]phenyl]benzonitrile CAS Name: 2-fluoro-4-[4-[2-(5-hexyl-1,3-dioxan-2-yl)ethyl]phenyl]benzonitrile IUPAC Name: 2-fluoro-4-[4-[2-(5-hexyl-1,3-dioxan-2-yl)ethyl]phenyl]benzonitrile Traditional Name: 2-fluoro-4-[4-[2-(5-hexyl-1,3-dioxan-2-yl)ethyl]phenyl]benzonitrile Formula: C25H30FNO2 MolecularWeight: 395.509603

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1COC(OC1)CCC2=CC=C(C=C2)C3=CC(=C(C=C3)C#N)F

Isomeric SMILES

CCCCCCC1COC(OC1)CCC2=CC=C(C=C2)C3=CC(=C(C=C3)C#N)F

InChI

InChI=1S/C25H30FNO2/c1-2-3-4-5-6-20-17-28-25(29-18-20)14-9-19-7-10-21(11-8-19)22-12-13-23(16-27)24(26)15-22/h7-8,10-13,15,20,25H,2-6,9,14,17-18H2,1H3