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

Systemtic Name: 2-fluoranyl-4-[4-[2-(5-octyl-1,3-dioxan-2-yl)ethyl]phenyl]benzenecarbonitrile Openeye Name: 2-fluoro-4-[4-[2-(5-octyl-1,3-dioxan-2-yl)ethyl]phenyl]benzonitrile CAS Name: 2-fluoro-4-[4-[2-(5-octyl-1,3-dioxan-2-yl)ethyl]phenyl]benzonitrile IUPAC Name: 2-fluoro-4-[4-[2-(5-octyl-1,3-dioxan-2-yl)ethyl]phenyl]benzonitrile Traditional Name: 2-fluoro-4-[4-[2-(5-octyl-1,3-dioxan-2-yl)ethyl]phenyl]benzonitrile Formula: C27H34FNO2 MolecularWeight: 423.562763

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1COC(OC1)CCC2=CC=C(C=C2)C3=CC(=C(C=C3)C#N)F

Isomeric SMILES

CCCCCCCCC1COC(OC1)CCC2=CC=C(C=C2)C3=CC(=C(C=C3)C#N)F

InChI

InChI=1S/C27H34FNO2/c1-2-3-4-5-6-7-8-22-19-30-27(31-20-22)16-11-21-9-12-23(13-10-21)24-14-15-25(18-29)26(28)17-24/h9-10,12-15,17,22,27H,2-8,11,16,19-20H2,1H3