2-[7-tert-butyl-5-(2-oxidanylidene-1H-pyridin-3-yl)-1-benzofuran-3-yl]ethanoic acid

Systemtic Name: 2-[7-tert-butyl-5-(2-oxidanylidene-1H-pyridin-3-yl)-1-benzofuran-3-yl]ethanoic acid Openeye Name: 2-[7-tert-butyl-5-(2-oxo-1H-pyridin-3-yl)benzofuran-3-yl]acetic acid CAS Name: 2-[7-tert-butyl-5-(2-oxo-1H-pyridin-3-yl)-3-benzofuranyl]acetic acid IUPAC Name: 2-[7-tert-butyl-5-(2-oxo-1H-pyridin-3-yl)-1-benzofuran-3-yl]acetic acid Traditional Name: 2-[7-tert-butyl-5-(2-keto-1H-pyridin-3-yl)benzofuran-3-yl]acetic acid Formula: C19H19NO4 MolecularWeight: 325.35846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C2C(=CC(=C1)C3=CC=CNC3=O)C(=CO2)CC(=O)O

Isomeric SMILES

CC(C)(C)C1=C2C(=CC(=C1)C3=CC=CNC3=O)C(=CO2)CC(=O)O

InChI

InChI=1S/C19H19NO4/c1-19(2,3)15-8-11(13-5-4-6-20-18(13)23)7-14-12(9-16(21)22)10-24-17(14)15/h4-8,10H,9H2,1-3H3,(H,20,23)(H,21,22)