2-[4,6,7-trimethyl-2-[2-(2-methyl-3-oxidanyl-4-oxidanylidene-pyridin-1-yl)ethyl]-5-oxidanyl-3H-1-benzofuran-2-yl]ethanoate

Systemtic Name: 2-[4,6,7-trimethyl-2-[2-(2-methyl-3-oxidanyl-4-oxidanylidene-pyridin-1-yl)ethyl]-5-oxidanyl-3H-1-benzofuran-2-yl]ethanoate Openeye Name: 2-[5-hydroxy-2-[2-(3-hydroxy-2-methyl-4-oxo-1-pyridyl)ethyl]-4,6,7-trimethyl-3H-benzofuran-2-yl]acetate CAS Name: 2-[5-hydroxy-2-[2-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)ethyl]-4,6,7-trimethyl-3H-benzofuran-2-yl]acetate IUPAC Name: 2-[5-hydroxy-2-[2-(3-hydroxy-2-methyl-4-oxopyridin-1-yl)ethyl]-4,6,7-trimethyl-3H-1-benzofuran-2-yl]acetate Traditional Name: 2-[5-hydroxy-2-[2-(3-hydroxy-4-keto-2-methyl-1-pyridyl)ethyl]-4,6,7-trimethyl-coumaran-2-yl]acetate Formula: C21H24NO6- MolecularWeight: 386.41836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2CC(OC2=C1C)(CCN3C=CC(=O)C(=C3C)O)CC(=O)[O-])C)O

Isomeric SMILES

CC1=C(C(=C2CC(OC2=C1C)(CCN3C=CC(=O)C(=C3C)O)CC(=O)[O-])C)O

InChI

InChI=1S/C21H25NO6/c1-11-12(2)20-15(13(3)18(11)26)9-21(28-20,10-17(24)25)6-8-22-7-5-16(23)19(27)14(22)4/h5,7,26-27H,6,8-10H2,1-4H3,(H,24,25)/p-1