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

Systemtic Name: 4-[2-(4-decylpyrimidin-2-yl)phenoxy]-2-ethyl-butanenitrile Openeye Name: 4-[2-(4-decylpyrimidin-2-yl)phenoxy]-2-ethyl-butanenitrile CAS Name: 4-[2-(4-decyl-2-pyrimidinyl)phenoxy]-2-ethylbutanenitrile IUPAC Name: 4-[2-(4-decylpyrimidin-2-yl)phenoxy]-2-ethylbutanenitrile Traditional Name: 4-[2-(4-decylpyrimidin-2-yl)phenoxy]-2-ethyl-butyronitrile Formula: C26H37N3O MolecularWeight: 407.59148

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=NC(=NC=C1)C2=CC=CC=C2OCCC(CC)C#N

Isomeric SMILES

CCCCCCCCCCC1=NC(=NC=C1)C2=CC=CC=C2OCCC(CC)C#N

InChI

InChI=1S/C26H37N3O/c1-3-5-6-7-8-9-10-11-14-23-17-19-28-26(29-23)24-15-12-13-16-25(24)30-20-18-22(4-2)21-27/h12-13,15-17,19,22H,3-11,14,18,20H2,1-2H3