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

Systemtic Name: 4-[5-[2-(4-ethylcyclohexyl)ethyl]-1,3-dioxan-2-yl]-2-fluoranyl-benzenecarbonitrile Openeye Name: 4-[5-[2-(4-ethylcyclohexyl)ethyl]-1,3-dioxan-2-yl]-2-fluoro-benzonitrile CAS Name: 4-[5-[2-(4-ethylcyclohexyl)ethyl]-1,3-dioxan-2-yl]-2-fluorobenzonitrile IUPAC Name: 4-[5-[2-(4-ethylcyclohexyl)ethyl]-1,3-dioxan-2-yl]-2-fluorobenzonitrile Traditional Name: 4-[5-[2-(4-ethylcyclohexyl)ethyl]-1,3-dioxan-2-yl]-2-fluoro-benzonitrile Formula: C21H28FNO2 MolecularWeight: 345.450923

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC(CC1)CCC2COC(OC2)C3=CC(=C(C=C3)C#N)F

Isomeric SMILES

CCC1CCC(CC1)CCC2COC(OC2)C3=CC(=C(C=C3)C#N)F

InChI

InChI=1S/C21H28FNO2/c1-2-15-3-5-16(6-4-15)7-8-17-13-24-21(25-14-17)18-9-10-19(12-23)20(22)11-18/h9-11,15-17,21H,2-8,13-14H2,1H3