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

Systemtic Name: 2-ethyl-4-[2-(4-undecylpyrimidin-2-yl)phenoxy]butanenitrile Openeye Name: 2-ethyl-4-[2-(4-undecylpyrimidin-2-yl)phenoxy]butanenitrile CAS Name: 2-ethyl-4-[2-(4-undecyl-2-pyrimidinyl)phenoxy]butanenitrile IUPAC Name: 2-ethyl-4-[2-(4-undecylpyrimidin-2-yl)phenoxy]butanenitrile Traditional Name: 2-ethyl-4-[2-(4-undecylpyrimidin-2-yl)phenoxy]butyronitrile Formula: C27H39N3O MolecularWeight: 421.61806

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=NC(=NC=C1)C2=CC=CC=C2OCCC(CC)C#N

Isomeric SMILES

CCCCCCCCCCCC1=NC(=NC=C1)C2=CC=CC=C2OCCC(CC)C#N

InChI

InChI=1S/C27H39N3O/c1-3-5-6-7-8-9-10-11-12-15-24-18-20-29-27(30-24)25-16-13-14-17-26(25)31-21-19-23(4-2)22-28/h13-14,16-18,20,23H,3-12,15,19,21H2,1-2H3