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

Systemtic Name: 4-[[4-(5-nonylpyrimidin-2-yl)phenoxy]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(5-nonylpyrimidin-2-yl)phenoxy]methyl]benzonitrile CAS Name: 4-[[4-(5-nonyl-2-pyrimidinyl)phenoxy]methyl]benzonitrile IUPAC Name: 4-[[4-(5-nonylpyrimidin-2-yl)phenoxy]methyl]benzonitrile Traditional Name: 4-[[4-(5-nonylpyrimidin-2-yl)phenoxy]methyl]benzonitrile Formula: C27H31N3O MolecularWeight: 413.55454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCC3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C27H31N3O/c1-2-3-4-5-6-7-8-9-24-19-29-27(30-20-24)25-14-16-26(17-15-25)31-21-23-12-10-22(18-28)11-13-23/h10-17,19-20H,2-9,21H2,1H3