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

Systemtic Name: 2-ethyl-4-[2-(4-octylpyrimidin-2-yl)phenoxy]butanenitrile Openeye Name: 2-ethyl-4-[2-(4-octylpyrimidin-2-yl)phenoxy]butanenitrile CAS Name: 2-ethyl-4-[2-(4-octyl-2-pyrimidinyl)phenoxy]butanenitrile IUPAC Name: 2-ethyl-4-[2-(4-octylpyrimidin-2-yl)phenoxy]butanenitrile Traditional Name: 2-ethyl-4-[2-(4-octylpyrimidin-2-yl)phenoxy]butyronitrile Formula: C24H33N3O MolecularWeight: 379.53832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=NC(=NC=C1)C2=CC=CC=C2OCCC(CC)C#N

Isomeric SMILES

CCCCCCCCC1=NC(=NC=C1)C2=CC=CC=C2OCCC(CC)C#N

InChI

InChI=1S/C24H33N3O/c1-3-5-6-7-8-9-12-21-15-17-26-24(27-21)22-13-10-11-14-23(22)28-18-16-20(4-2)19-25/h10-11,13-15,17,20H,3-9,12,16,18H2,1-2H3