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

Systemtic Name: 4-[4-(5-decylpyrimidin-2-yl)phenoxy]-2-methyl-butanenitrile Openeye Name: 4-[4-(5-decylpyrimidin-2-yl)phenoxy]-2-methyl-butanenitrile CAS Name: 4-[4-(5-decyl-2-pyrimidinyl)phenoxy]-2-methylbutanenitrile IUPAC Name: 4-[4-(5-decylpyrimidin-2-yl)phenoxy]-2-methylbutanenitrile Traditional Name: 4-[4-(5-decylpyrimidin-2-yl)phenoxy]-2-methyl-butyronitrile Formula: C25H35N3O MolecularWeight: 393.5649

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCCC(C)C#N

Isomeric SMILES

CCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCCC(C)C#N

InChI

InChI=1S/C25H35N3O/c1-3-4-5-6-7-8-9-10-11-22-19-27-25(28-20-22)23-12-14-24(15-13-23)29-17-16-21(2)18-26/h12-15,19-21H,3-11,16-17H2,1-2H3