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2-methyl-4-[4-(5-undecylpyrimidin-2-yl)phenoxy]butanenitrile

2-methyl-4-[4-(5-undecylpyrimidin-2-yl)phenoxy]butanenitrile

Systemtic Name:2-methyl-4-[4-(5-undecylpyrimidin-2-yl)phenoxy]butanenitrile
Openeye Name:2-methyl-4-[4-(5-undecylpyrimidin-2-yl)phenoxy]butanenitrile
CAS Name:2-methyl-4-[4-(5-undecyl-2-pyrimidinyl)phenoxy]butanenitrile
IUPAC Name:2-methyl-4-[4-(5-undecylpyrimidin-2-yl)phenoxy]butanenitrile
Traditional Name:2-methyl-4-[4-(5-undecylpyrimidin-2-yl)phenoxy]butyronitrile
Formula: C26H37N3O
MolecularWeight: 407.59148
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCCC(C)C#N


Isomeric SMILES

CCCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCCC(C)C#N


InChI

InChI=1S/C26H37N3O/c1-3-4-5-6-7-8-9-10-11-12-23-20-28-26(29-21-23)24-13-15-25(16-14-24)30-18-17-22(2)19-27/h13-16,20-22H,3-12,17-18H2,1-2H3


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