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

Systemtic Name: 2-ethyl-4-[2-(4-hexylpyrimidin-2-yl)phenoxy]butanenitrile Openeye Name: 2-ethyl-4-[2-(4-hexylpyrimidin-2-yl)phenoxy]butanenitrile CAS Name: 2-ethyl-4-[2-(4-hexyl-2-pyrimidinyl)phenoxy]butanenitrile IUPAC Name: 2-ethyl-4-[2-(4-hexylpyrimidin-2-yl)phenoxy]butanenitrile Traditional Name: 2-ethyl-4-[2-(4-hexylpyrimidin-2-yl)phenoxy]butyronitrile Formula: C22H29N3O MolecularWeight: 351.48516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=NC(=NC=C1)C2=CC=CC=C2OCCC(CC)C#N

Isomeric SMILES

CCCCCCC1=NC(=NC=C1)C2=CC=CC=C2OCCC(CC)C#N

InChI

InChI=1S/C22H29N3O/c1-3-5-6-7-10-19-13-15-24-22(25-19)20-11-8-9-12-21(20)26-16-14-18(4-2)17-23/h8-9,11-13,15,18H,3-7,10,14,16H2,1-2H3