2-[3-oxidanylidene-3-(2-phenoxypyridin-3-yl)propyl]benzoic acid

Systemtic Name: 2-[3-oxidanylidene-3-(2-phenoxypyridin-3-yl)propyl]benzoic acid Openeye Name: 2-[3-oxo-3-(2-phenoxy-3-pyridyl)propyl]benzoic acid CAS Name: 2-[3-oxo-3-(2-phenoxy-3-pyridinyl)propyl]benzoic acid IUPAC Name: 2-[3-oxo-3-(2-phenoxypyridin-3-yl)propyl]benzoic acid Traditional Name: 2-[3-keto-3-(2-phenoxy-3-pyridyl)propyl]benzoic acid Formula: C21H17NO4 MolecularWeight: 347.36398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=C(C=CC=N2)C(=O)CCC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OC2=C(C=CC=N2)C(=O)CCC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C21H17NO4/c23-19(13-12-15-7-4-5-10-17(15)21(24)25)18-11-6-14-22-20(18)26-16-8-2-1-3-9-16/h1-11,14H,12-13H2,(H,24,25)