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

Systemtic Name: 4-[4-(5-dodecylpyrimidin-2-yl)phenoxy]-2-methyl-butanenitrile Openeye Name: 4-[4-(5-dodecylpyrimidin-2-yl)phenoxy]-2-methyl-butanenitrile CAS Name: 4-[4-(5-dodecyl-2-pyrimidinyl)phenoxy]-2-methylbutanenitrile IUPAC Name: 4-[4-(5-dodecylpyrimidin-2-yl)phenoxy]-2-methylbutanenitrile Traditional Name: 4-[4-(5-laurylpyrimidin-2-yl)phenoxy]-2-methyl-butyronitrile Formula: C27H39N3O MolecularWeight: 421.61806

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCCC(C)C#N

Isomeric SMILES

CCCCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCCC(C)C#N

InChI

InChI=1S/C27H39N3O/c1-3-4-5-6-7-8-9-10-11-12-13-24-21-29-27(30-22-24)25-14-16-26(17-15-25)31-19-18-23(2)20-28/h14-17,21-23H,3-13,18-19H2,1-2H3