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

Systemtic Name: 4-[5-[2-(4-decylcyclohexyl)ethyl]-1,3-dioxan-2-yl]-2-fluoranyl-benzenecarbonitrile Openeye Name: 4-[5-[2-(4-decylcyclohexyl)ethyl]-1,3-dioxan-2-yl]-2-fluoro-benzonitrile CAS Name: 4-[5-[2-(4-decylcyclohexyl)ethyl]-1,3-dioxan-2-yl]-2-fluorobenzonitrile IUPAC Name: 4-[5-[2-(4-decylcyclohexyl)ethyl]-1,3-dioxan-2-yl]-2-fluorobenzonitrile Traditional Name: 4-[5-[2-(4-decylcyclohexyl)ethyl]-1,3-dioxan-2-yl]-2-fluoro-benzonitrile Formula: C29H44FNO2 MolecularWeight: 457.663563

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1CCC(CC1)CCC2COC(OC2)C3=CC(=C(C=C3)C#N)F

Isomeric SMILES

CCCCCCCCCCC1CCC(CC1)CCC2COC(OC2)C3=CC(=C(C=C3)C#N)F

InChI

InChI=1S/C29H44FNO2/c1-2-3-4-5-6-7-8-9-10-23-11-13-24(14-12-23)15-16-25-21-32-29(33-22-25)26-17-18-27(20-31)28(30)19-26/h17-19,23-25,29H,2-16,21-22H2,1H3