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

Systemtic Name: 2-[[4-(5-decylpyrimidin-2-yl)phenoxy]methyl]-2-methyl-hexanenitrile Openeye Name: 2-[[4-(5-decylpyrimidin-2-yl)phenoxy]methyl]-2-methyl-hexanenitrile CAS Name: 2-[[4-(5-decyl-2-pyrimidinyl)phenoxy]methyl]-2-methylhexanenitrile IUPAC Name: 2-[[4-(5-decylpyrimidin-2-yl)phenoxy]methyl]-2-methylhexanenitrile Traditional Name: 2-[[4-(5-decylpyrimidin-2-yl)phenoxy]methyl]-2-methyl-hexanenitrile Formula: C28H41N3O MolecularWeight: 435.64464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCC(C)(CCCC)C#N

Isomeric SMILES

CCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCC(C)(CCCC)C#N

InChI

InChI=1S/C28H41N3O/c1-4-6-8-9-10-11-12-13-14-24-20-30-27(31-21-24)25-15-17-26(18-16-25)32-23-28(3,22-29)19-7-5-2/h15-18,20-21H,4-14,19,23H2,1-3H3