2-[4-[[4-(2-hydroxyethyloxy)-2-methyl-6-pentyl-pyrimidin-5-yl]methyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[[4-(2-hydroxyethyloxy)-2-methyl-6-pentyl-pyrimidin-5-yl]methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[[4-(2-hydroxyethoxy)-2-methyl-6-pentyl-pyrimidin-5-yl]methyl]phenyl]benzonitrile CAS Name: 2-[4-[[4-(2-hydroxyethoxy)-2-methyl-6-pentyl-5-pyrimidinyl]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[[4-(2-hydroxyethoxy)-2-methyl-6-pentylpyrimidin-5-yl]methyl]phenyl]benzonitrile Traditional Name: 2-[4-[[4-amyl-6-(2-hydroxyethoxy)-2-methyl-pyrimidin-5-yl]methyl]phenyl]benzonitrile Formula: C26H29N3O2 MolecularWeight: 415.52736

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C(=NC(=N1)C)OCCO)CC2=CC=C(C=C2)C3=CC=CC=C3C#N

Isomeric SMILES

CCCCCC1=C(C(=NC(=N1)C)OCCO)CC2=CC=C(C=C2)C3=CC=CC=C3C#N

InChI

InChI=1S/C26H29N3O2/c1-3-4-5-10-25-24(26(31-16-15-30)29-19(2)28-25)17-20-11-13-21(14-12-20)23-9-7-6-8-22(23)18-27/h6-9,11-14,30H,3-5,10,15-17H2,1-2H3