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

Systemtic Name: 2-ethyl-4-[2-(4-nonylpyrimidin-2-yl)phenoxy]butanenitrile Openeye Name: 2-ethyl-4-[2-(4-nonylpyrimidin-2-yl)phenoxy]butanenitrile CAS Name: 2-ethyl-4-[2-(4-nonyl-2-pyrimidinyl)phenoxy]butanenitrile IUPAC Name: 2-ethyl-4-[2-(4-nonylpyrimidin-2-yl)phenoxy]butanenitrile Traditional Name: 2-ethyl-4-[2-(4-nonylpyrimidin-2-yl)phenoxy]butyronitrile Formula: C25H35N3O MolecularWeight: 393.5649

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=NC(=NC=C1)C2=CC=CC=C2OCCC(CC)C#N

Isomeric SMILES

CCCCCCCCCC1=NC(=NC=C1)C2=CC=CC=C2OCCC(CC)C#N

InChI

InChI=1S/C25H35N3O/c1-3-5-6-7-8-9-10-13-22-16-18-27-25(28-22)23-14-11-12-15-24(23)29-19-17-21(4-2)20-26/h11-12,14-16,18,21H,3-10,13,17,19H2,1-2H3