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

Systemtic Name: 2-ethyl-4-[2-(4-pentylpyrimidin-2-yl)phenoxy]butanenitrile Openeye Name: 2-ethyl-4-[2-(4-pentylpyrimidin-2-yl)phenoxy]butanenitrile CAS Name: 2-ethyl-4-[2-(4-pentyl-2-pyrimidinyl)phenoxy]butanenitrile IUPAC Name: 2-ethyl-4-[2-(4-pentylpyrimidin-2-yl)phenoxy]butanenitrile Traditional Name: 4-[2-(4-amylpyrimidin-2-yl)phenoxy]-2-ethyl-butyronitrile Formula: C21H27N3O MolecularWeight: 337.45858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NC(=NC=C1)C2=CC=CC=C2OCCC(CC)C#N

Isomeric SMILES

CCCCCC1=NC(=NC=C1)C2=CC=CC=C2OCCC(CC)C#N

InChI

InChI=1S/C21H27N3O/c1-3-5-6-9-18-12-14-23-21(24-18)19-10-7-8-11-20(19)25-15-13-17(4-2)16-22/h7-8,10-12,14,17H,3-6,9,13,15H2,1-2H3