2-(1,3-benzodioxol-5-yl)-3-oxidanyl-3,3-dipyridin-2-yl-propanoic acid

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-3-oxidanyl-3,3-dipyridin-2-yl-propanoic acid Openeye Name: 2-(1,3-benzodioxol-5-yl)-3-hydroxy-3,3-bis(2-pyridyl)propanoic acid CAS Name: 2-(1,3-benzodioxol-5-yl)-3-hydroxy-3,3-bis(2-pyridinyl)propanoic acid IUPAC Name: 2-(1,3-benzodioxol-5-yl)-3-hydroxy-3,3-dipyridin-2-ylpropanoic acid Traditional Name: 2-(1,3-benzodioxol-5-yl)-3-hydroxy-3,3-bis(2-pyridyl)propionic acid Formula: C20H16N2O5 MolecularWeight: 364.35144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(C(=O)O)C(C3=CC=CC=N3)(C4=CC=CC=N4)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(C(=O)O)C(C3=CC=CC=N3)(C4=CC=CC=N4)O

InChI

InChI=1S/C20H16N2O5/c23-19(24)18(13-7-8-14-15(11-13)27-12-26-14)20(25,16-5-1-3-9-21-16)17-6-2-4-10-22-17/h1-11,18,25H,12H2,(H,23,24)