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

Systemtic Name: 2-methyl-4-[4-(5-nonylpyrimidin-2-yl)phenoxy]butanenitrile Openeye Name: 2-methyl-4-[4-(5-nonylpyrimidin-2-yl)phenoxy]butanenitrile CAS Name: 2-methyl-4-[4-(5-nonyl-2-pyrimidinyl)phenoxy]butanenitrile IUPAC Name: 2-methyl-4-[4-(5-nonylpyrimidin-2-yl)phenoxy]butanenitrile Traditional Name: 2-methyl-4-[4-(5-nonylpyrimidin-2-yl)phenoxy]butyronitrile Formula: C24H33N3O MolecularWeight: 379.53832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCCC(C)C#N

Isomeric SMILES

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCCC(C)C#N

InChI

InChI=1S/C24H33N3O/c1-3-4-5-6-7-8-9-10-21-18-26-24(27-19-21)22-11-13-23(14-12-22)28-16-15-20(2)17-25/h11-14,18-20H,3-10,15-16H2,1-2H3