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

Systemtic Name: 2-ethyl-4-[4-(5-undecylpyrimidin-2-yl)phenoxy]butanenitrile Openeye Name: 2-ethyl-4-[4-(5-undecylpyrimidin-2-yl)phenoxy]butanenitrile CAS Name: 2-ethyl-4-[4-(5-undecyl-2-pyrimidinyl)phenoxy]butanenitrile IUPAC Name: 2-ethyl-4-[4-(5-undecylpyrimidin-2-yl)phenoxy]butanenitrile Traditional Name: 2-ethyl-4-[4-(5-undecylpyrimidin-2-yl)phenoxy]butyronitrile Formula: C27H39N3O MolecularWeight: 421.61806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H39N3O/c1-3-5-6-7-8-9-10-11-12-13-24-21-29-27(30-22-24)25-14-16-26(17-15-25)31-19-18-23(4-2)20-28/h14-17,21-23H,3-13,18-19H2,1-2H3