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

Systemtic Name: 2-fluoranyl-4-[5-[2-(4-octylcyclohexyl)ethyl]-1,3-dioxan-2-yl]benzenecarbonitrile Openeye Name: 2-fluoro-4-[5-[2-(4-octylcyclohexyl)ethyl]-1,3-dioxan-2-yl]benzonitrile CAS Name: 2-fluoro-4-[5-[2-(4-octylcyclohexyl)ethyl]-1,3-dioxan-2-yl]benzonitrile IUPAC Name: 2-fluoro-4-[5-[2-(4-octylcyclohexyl)ethyl]-1,3-dioxan-2-yl]benzonitrile Traditional Name: 2-fluoro-4-[5-[2-(4-octylcyclohexyl)ethyl]-1,3-dioxan-2-yl]benzonitrile Formula: C27H40FNO2 MolecularWeight: 429.610403

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CCC(CC1)CCC2COC(OC2)C3=CC(=C(C=C3)C#N)F

Isomeric SMILES

CCCCCCCCC1CCC(CC1)CCC2COC(OC2)C3=CC(=C(C=C3)C#N)F

InChI

InChI=1S/C27H40FNO2/c1-2-3-4-5-6-7-8-21-9-11-22(12-10-21)13-14-23-19-30-27(31-20-23)24-15-16-25(18-29)26(28)17-24/h15-17,21-23,27H,2-14,19-20H2,1H3