5-[3-(quinolin-2-ylmethoxy)phenoxy]pentanenitrile

Systemtic Name: 5-[3-(quinolin-2-ylmethoxy)phenoxy]pentanenitrile Openeye Name: 5-[3-(2-quinolylmethoxy)phenoxy]pentanenitrile CAS Name: 5-[3-(2-quinolinylmethoxy)phenoxy]pentanenitrile IUPAC Name: 5-[3-(quinolin-2-ylmethoxy)phenoxy]pentanenitrile Traditional Name: 5-[3-(2-quinolylmethoxy)phenoxy]valeronitrile Formula: C21H20N2O2 MolecularWeight: 332.3957

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)COC3=CC(=CC=C3)OCCCCC#N

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)COC3=CC(=CC=C3)OCCCCC#N

InChI

InChI=1S/C21H20N2O2/c22-13-4-1-5-14-24-19-8-6-9-20(15-19)25-16-18-12-11-17-7-2-3-10-21(17)23-18/h2-3,6-12,15H,1,4-5,14,16H2