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

Systemtic Name: 4-[4-[2-(5-ethyl-1,3-dioxan-2-yl)ethyl]phenyl]-2-fluoranyl-benzenecarbonitrile Openeye Name: 4-[4-[2-(5-ethyl-1,3-dioxan-2-yl)ethyl]phenyl]-2-fluoro-benzonitrile CAS Name: 4-[4-[2-(5-ethyl-1,3-dioxan-2-yl)ethyl]phenyl]-2-fluorobenzonitrile IUPAC Name: 4-[4-[2-(5-ethyl-1,3-dioxan-2-yl)ethyl]phenyl]-2-fluorobenzonitrile Traditional Name: 4-[4-[2-(5-ethyl-1,3-dioxan-2-yl)ethyl]phenyl]-2-fluoro-benzonitrile Formula: C21H22FNO2 MolecularWeight: 339.403283

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Descriptors Computed from Structure

Canonical SMILES:

CCC1COC(OC1)CCC2=CC=C(C=C2)C3=CC(=C(C=C3)C#N)F

Isomeric SMILES

CCC1COC(OC1)CCC2=CC=C(C=C2)C3=CC(=C(C=C3)C#N)F

InChI

InChI=1S/C21H22FNO2/c1-2-15-13-24-21(25-14-15)10-5-16-3-6-17(7-4-16)18-8-9-19(12-23)20(22)11-18/h3-4,6-9,11,15,21H,2,5,10,13-14H2,1H3