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

Systemtic Name: 2,3-bis(fluoranyl)-4-[[4-(5-octylpyrimidin-2-yl)phenyl]methoxy]benzenecarbonitrile Openeye Name: 2,3-difluoro-4-[[4-(5-octylpyrimidin-2-yl)phenyl]methoxy]benzonitrile CAS Name: 2,3-difluoro-4-[[4-(5-octyl-2-pyrimidinyl)phenyl]methoxy]benzonitrile IUPAC Name: 2,3-difluoro-4-[[4-(5-octylpyrimidin-2-yl)phenyl]methoxy]benzonitrile Traditional Name: 2,3-difluoro-4-[4-(5-octylpyrimidin-2-yl)benzyl]oxy-benzonitrile Formula: C26H27F2N3O MolecularWeight: 435.508886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)COC3=C(C(=C(C=C3)C#N)F)F

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)COC3=C(C(=C(C=C3)C#N)F)F

InChI

InChI=1S/C26H27F2N3O/c1-2-3-4-5-6-7-8-20-16-30-26(31-17-20)21-11-9-19(10-12-21)18-32-23-14-13-22(15-29)24(27)25(23)28/h9-14,16-17H,2-8,18H2,1H3