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

Systemtic Name: 2-methyl-4-[4-(5-octylpyrimidin-2-yl)phenoxy]butanenitrile Openeye Name: 2-methyl-4-[4-(5-octylpyrimidin-2-yl)phenoxy]butanenitrile CAS Name: 2-methyl-4-[4-(5-octyl-2-pyrimidinyl)phenoxy]butanenitrile IUPAC Name: 2-methyl-4-[4-(5-octylpyrimidin-2-yl)phenoxy]butanenitrile Traditional Name: 2-methyl-4-[4-(5-octylpyrimidin-2-yl)phenoxy]butyronitrile Formula: C23H31N3O MolecularWeight: 365.51174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCCC(C)C#N

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCCC(C)C#N

InChI

InChI=1S/C23H31N3O/c1-3-4-5-6-7-8-9-20-17-25-23(26-18-20)21-10-12-22(13-11-21)27-15-14-19(2)16-24/h10-13,17-19H,3-9,14-15H2,1-2H3