2-[2-(4-chloranylphenoxy)ethyl]-2-pyridin-3-yl-pentanenitrile

Systemtic Name: 2-[2-(4-chloranylphenoxy)ethyl]-2-pyridin-3-yl-pentanenitrile Openeye Name: 2-[2-(4-chlorophenoxy)ethyl]-2-(3-pyridyl)pentanenitrile CAS Name: 2-[2-(4-chlorophenoxy)ethyl]-2-(3-pyridinyl)pentanenitrile IUPAC Name: 2-[2-(4-chlorophenoxy)ethyl]-2-pyridin-3-ylpentanenitrile Traditional Name: 2-[2-(4-chlorophenoxy)ethyl]-2-(3-pyridyl)valeronitrile Formula: C18H19ClN2O MolecularWeight: 314.80926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCOC1=CC=C(C=C1)Cl)(C#N)C2=CN=CC=C2

Isomeric SMILES

CCCC(CCOC1=CC=C(C=C1)Cl)(C#N)C2=CN=CC=C2

InChI

InChI=1S/C18H19ClN2O/c1-2-9-18(14-20,15-4-3-11-21-13-15)10-12-22-17-7-5-16(19)6-8-17/h3-8,11,13H,2,9-10,12H2,1H3