4-[[4-(5-octylpyrimidin-2-yl)phenoxy]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(5-octylpyrimidin-2-yl)phenoxy]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(5-octylpyrimidin-2-yl)phenoxy]methyl]benzonitrile CAS Name: 4-[[4-(5-octyl-2-pyrimidinyl)phenoxy]methyl]benzonitrile IUPAC Name: 4-[[4-(5-octylpyrimidin-2-yl)phenoxy]methyl]benzonitrile Traditional Name: 4-[[4-(5-octylpyrimidin-2-yl)phenoxy]methyl]benzonitrile Formula: C26H29N3O MolecularWeight: 399.52796

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCC3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C26H29N3O/c1-2-3-4-5-6-7-8-23-18-28-26(29-19-23)24-13-15-25(16-14-24)30-20-22-11-9-21(17-27)10-12-22/h9-16,18-19H,2-8,20H2,1H3