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

Systemtic Name: 4-[[4-(5-decylpyrimidin-2-yl)phenoxy]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(5-decylpyrimidin-2-yl)phenoxy]methyl]benzonitrile CAS Name: 4-[[4-(5-decyl-2-pyrimidinyl)phenoxy]methyl]benzonitrile IUPAC Name: 4-[[4-(5-decylpyrimidin-2-yl)phenoxy]methyl]benzonitrile Traditional Name: 4-[[4-(5-decylpyrimidin-2-yl)phenoxy]methyl]benzonitrile Formula: C28H33N3O MolecularWeight: 427.58112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCC3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C28H33N3O/c1-2-3-4-5-6-7-8-9-10-25-20-30-28(31-21-25)26-15-17-27(18-16-26)32-22-24-13-11-23(19-29)12-14-24/h11-18,20-21H,2-10,22H2,1H3