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

Systemtic Name: 2-[[4-[4-(5-hexoxypyrimidin-2-yl)phenyl]phenoxy]methyl]butanenitrile Openeye Name: 2-[[4-[4-(5-hexoxypyrimidin-2-yl)phenyl]phenoxy]methyl]butanenitrile CAS Name: 2-[[4-[4-(5-hexoxy-2-pyrimidinyl)phenyl]phenoxy]methyl]butanenitrile IUPAC Name: 2-[[4-[4-(5-hexoxypyrimidin-2-yl)phenyl]phenoxy]methyl]butanenitrile Traditional Name: 2-[[4-[4-(5-hexoxypyrimidin-2-yl)phenyl]phenoxy]methyl]butyronitrile Formula: C27H31N3O2 MolecularWeight: 429.55394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)OCC(CC)C#N

Isomeric SMILES

CCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)OCC(CC)C#N

InChI

InChI=1S/C27H31N3O2/c1-3-5-6-7-16-31-26-18-29-27(30-19-26)24-10-8-22(9-11-24)23-12-14-25(15-13-23)32-20-21(4-2)17-28/h8-15,18-19,21H,3-7,16,20H2,1-2H3