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

Systemtic Name: 4-[4-[2-(5-butyl-1,3-dioxan-2-yl)ethyl]phenyl]-2-fluoranyl-benzenecarbonitrile Openeye Name: 4-[4-[2-(5-butyl-1,3-dioxan-2-yl)ethyl]phenyl]-2-fluoro-benzonitrile CAS Name: 4-[4-[2-(5-butyl-1,3-dioxan-2-yl)ethyl]phenyl]-2-fluorobenzonitrile IUPAC Name: 4-[4-[2-(5-butyl-1,3-dioxan-2-yl)ethyl]phenyl]-2-fluorobenzonitrile Traditional Name: 4-[4-[2-(5-butyl-1,3-dioxan-2-yl)ethyl]phenyl]-2-fluoro-benzonitrile Formula: C23H26FNO2 MolecularWeight: 367.456443

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1COC(OC1)CCC2=CC=C(C=C2)C3=CC(=C(C=C3)C#N)F

Isomeric SMILES

CCCCC1COC(OC1)CCC2=CC=C(C=C2)C3=CC(=C(C=C3)C#N)F

InChI

InChI=1S/C23H26FNO2/c1-2-3-4-18-15-26-23(27-16-18)12-7-17-5-8-19(9-6-17)20-10-11-21(14-25)22(24)13-20/h5-6,8-11,13,18,23H,2-4,7,12,15-16H2,1H3