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

Systemtic Name: 4-[2-(4-dodecylpyridin-2-yl)phenoxy]-2-ethyl-butanenitrile Openeye Name: 4-[2-(4-dodecyl-2-pyridyl)phenoxy]-2-ethyl-butanenitrile CAS Name: 4-[2-(4-dodecyl-2-pyridinyl)phenoxy]-2-ethylbutanenitrile IUPAC Name: 4-[2-(4-dodecylpyridin-2-yl)phenoxy]-2-ethylbutanenitrile Traditional Name: 2-ethyl-4-[2-(4-lauryl-2-pyridyl)phenoxy]butyronitrile Formula: C29H42N2O MolecularWeight: 434.65658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H42N2O/c1-3-5-6-7-8-9-10-11-12-13-16-26-19-21-31-28(23-26)27-17-14-15-18-29(27)32-22-20-25(4-2)24-30/h14-15,17-19,21,23,25H,3-13,16,20,22H2,1-2H3