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

Systemtic Name: 2-ethyl-4-[2-(4-heptylpyrimidin-2-yl)phenoxy]butanenitrile Openeye Name: 2-ethyl-4-[2-(4-heptylpyrimidin-2-yl)phenoxy]butanenitrile CAS Name: 2-ethyl-4-[2-(4-heptyl-2-pyrimidinyl)phenoxy]butanenitrile IUPAC Name: 2-ethyl-4-[2-(4-heptylpyrimidin-2-yl)phenoxy]butanenitrile Traditional Name: 2-ethyl-4-[2-(4-heptylpyrimidin-2-yl)phenoxy]butyronitrile Formula: C23H31N3O MolecularWeight: 365.51174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=NC(=NC=C1)C2=CC=CC=C2OCCC(CC)C#N

Isomeric SMILES

CCCCCCCC1=NC(=NC=C1)C2=CC=CC=C2OCCC(CC)C#N

InChI

InChI=1S/C23H31N3O/c1-3-5-6-7-8-11-20-14-16-25-23(26-20)21-12-9-10-13-22(21)27-17-15-19(4-2)18-24/h9-10,12-14,16,19H,3-8,11,15,17H2,1-2H3