2-ethyl-2-[3-(quinolin-2-ylmethoxy)phenyl]butanenitrile

Systemtic Name: 2-ethyl-2-[3-(quinolin-2-ylmethoxy)phenyl]butanenitrile Openeye Name: 2-ethyl-2-[3-(2-quinolylmethoxy)phenyl]butanenitrile CAS Name: 2-ethyl-2-[3-(2-quinolinylmethoxy)phenyl]butanenitrile IUPAC Name: 2-ethyl-2-[3-(quinolin-2-ylmethoxy)phenyl]butanenitrile Traditional Name: 2-ethyl-2-[3-(2-quinolylmethoxy)phenyl]butyronitrile Formula: C22H22N2O MolecularWeight: 330.42288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#N)C1=CC(=CC=C1)OCC2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CCC(CC)(C#N)C1=CC(=CC=C1)OCC2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C22H22N2O/c1-3-22(4-2,16-23)18-9-7-10-20(14-18)25-15-19-13-12-17-8-5-6-11-21(17)24-19/h5-14H,3-4,15H2,1-2H3