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

Systemtic Name: 2-fluoranyl-4-[4-[2-(5-heptyl-1,3-dioxan-2-yl)ethyl]phenyl]benzenecarbonitrile Openeye Name: 2-fluoro-4-[4-[2-(5-heptyl-1,3-dioxan-2-yl)ethyl]phenyl]benzonitrile CAS Name: 2-fluoro-4-[4-[2-(5-heptyl-1,3-dioxan-2-yl)ethyl]phenyl]benzonitrile IUPAC Name: 2-fluoro-4-[4-[2-(5-heptyl-1,3-dioxan-2-yl)ethyl]phenyl]benzonitrile Traditional Name: 2-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=CC(=C(C=C3)C#N)F

Isomeric SMILES

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

InChI

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