2-[2-cyano-5-(pyridin-3-ylmethoxy)phenoxy]-2-phenyl-ethanoic acid

Systemtic Name: 2-[2-cyano-5-(pyridin-3-ylmethoxy)phenoxy]-2-phenyl-ethanoic acid Openeye Name: 2-[2-cyano-5-(3-pyridylmethoxy)phenoxy]-2-phenyl-acetic acid CAS Name: 2-[2-cyano-5-(3-pyridinylmethoxy)phenoxy]-2-phenylacetic acid IUPAC Name: 2-[2-cyano-5-(pyridin-3-ylmethoxy)phenoxy]-2-phenylacetic acid Traditional Name: 2-[2-cyano-5-(3-pyridylmethoxy)phenoxy]-2-phenyl-acetic acid Formula: C21H16N2O4 MolecularWeight: 360.36274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)O)OC2=C(C=CC(=C2)OCC3=CN=CC=C3)C#N

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)O)OC2=C(C=CC(=C2)OCC3=CN=CC=C3)C#N

InChI

InChI=1S/C21H16N2O4/c22-12-17-8-9-18(26-14-15-5-4-10-23-13-15)11-19(17)27-20(21(24)25)16-6-2-1-3-7-16/h1-11,13,20H,14H2,(H,24,25)