4-[2-(4-dodecylpyrimidin-2-yl)phenoxy]-2-ethyl-butanenitrile

Systemtic Name: 4-[2-(4-dodecylpyrimidin-2-yl)phenoxy]-2-ethyl-butanenitrile Openeye Name: 4-[2-(4-dodecylpyrimidin-2-yl)phenoxy]-2-ethyl-butanenitrile CAS Name: 4-[2-(4-dodecyl-2-pyrimidinyl)phenoxy]-2-ethylbutanenitrile IUPAC Name: 4-[2-(4-dodecylpyrimidin-2-yl)phenoxy]-2-ethylbutanenitrile Traditional Name: 2-ethyl-4-[2-(4-laurylpyrimidin-2-yl)phenoxy]butyronitrile Formula: C28H41N3O MolecularWeight: 435.64464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=NC(=NC=C1)C2=CC=CC=C2OCCC(CC)C#N

Isomeric SMILES

CCCCCCCCCCCCC1=NC(=NC=C1)C2=CC=CC=C2OCCC(CC)C#N

InChI

InChI=1S/C28H41N3O/c1-3-5-6-7-8-9-10-11-12-13-16-25-19-21-30-28(31-25)26-17-14-15-18-27(26)32-22-20-24(4-2)23-29/h14-15,17-19,21,24H,3-13,16,20,22H2,1-2H3