2,3-bis(fluoranyl)-4-[[4-(5-octoxypyrimidin-2-yl)phenyl]methoxy]benzenecarbonitrile

Systemtic Name: 2,3-bis(fluoranyl)-4-[[4-(5-octoxypyrimidin-2-yl)phenyl]methoxy]benzenecarbonitrile Openeye Name: 2,3-difluoro-4-[[4-(5-octoxypyrimidin-2-yl)phenyl]methoxy]benzonitrile CAS Name: 2,3-difluoro-4-[[4-(5-octoxy-2-pyrimidinyl)phenyl]methoxy]benzonitrile IUPAC Name: 2,3-difluoro-4-[[4-(5-octoxypyrimidin-2-yl)phenyl]methoxy]benzonitrile Traditional Name: 2,3-difluoro-4-[4-(5-octoxypyrimidin-2-yl)benzyl]oxy-benzonitrile Formula: C26H27F2N3O2 MolecularWeight: 451.508286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)COC3=C(C(=C(C=C3)C#N)F)F

Isomeric SMILES

CCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)COC3=C(C(=C(C=C3)C#N)F)F

InChI

InChI=1S/C26H27F2N3O2/c1-2-3-4-5-6-7-14-32-22-16-30-26(31-17-22)20-10-8-19(9-11-20)18-33-23-13-12-21(15-29)24(27)25(23)28/h8-13,16-17H,2-7,14,18H2,1H3