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

Systemtic Name: 3-fluoranyl-4-[4-[2-(5-heptyl-1,3-dioxan-2-yl)ethyl]phenyl]benzenecarbonitrile Openeye Name: 3-fluoro-4-[4-[2-(5-heptyl-1,3-dioxan-2-yl)ethyl]phenyl]benzonitrile CAS Name: 3-fluoro-4-[4-[2-(5-heptyl-1,3-dioxan-2-yl)ethyl]phenyl]benzonitrile IUPAC Name: 3-fluoro-4-[4-[2-(5-heptyl-1,3-dioxan-2-yl)ethyl]phenyl]benzonitrile Traditional Name: 3-fluoro-4-[4-[2-(5-heptyl-1,3-dioxan-2-yl)ethyl]phenyl]benzonitrile Formula: C26H32FNO2 MolecularWeight: 409.536183

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1COC(OC1)CCC2=CC=C(C=C2)C3=C(C=C(C=C3)C#N)F

Isomeric SMILES

CCCCCCCC1COC(OC1)CCC2=CC=C(C=C2)C3=C(C=C(C=C3)C#N)F

InChI

InChI=1S/C26H32FNO2/c1-2-3-4-5-6-7-22-18-29-26(30-19-22)15-11-20-8-12-23(13-9-20)24-14-10-21(17-28)16-25(24)27/h8-10,12-14,16,22,26H,2-7,11,15,18-19H2,1H3