2-(4,6,7-trimethyl-5-oxidanyl-2,3-dihydro-1-benzofuran-2-yl)ethyl 3-(2-methyl-3-oxidanyl-4-oxidanylidene-pyridin-1-yl)propanoate

Systemtic Name: 2-(4,6,7-trimethyl-5-oxidanyl-2,3-dihydro-1-benzofuran-2-yl)ethyl 3-(2-methyl-3-oxidanyl-4-oxidanylidene-pyridin-1-yl)propanoate Openeye Name: 2-(5-hydroxy-4,6,7-trimethyl-2,3-dihydrobenzofuran-2-yl)ethyl 3-(3-hydroxy-2-methyl-4-oxo-1-pyridyl)propanoate CAS Name: 3-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)propanoic acid 2-(5-hydroxy-4,6,7-trimethyl-2,3-dihydrobenzofuran-2-yl)ethyl ester IUPAC Name: 2-(5-hydroxy-4,6,7-trimethyl-2,3-dihydro-1-benzofuran-2-yl)ethyl 3-(3-hydroxy-2-methyl-4-oxopyridin-1-yl)propanoate Traditional Name: 3-(3-hydroxy-4-keto-2-methyl-1-pyridyl)propionic acid 2-(5-hydroxy-4,6,7-trimethyl-coumaran-2-yl)ethyl ester Formula: C22H27NO6 MolecularWeight: 401.45288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2CC(OC2=C1C)CCOC(=O)CCN3C=CC(=O)C(=C3C)O)C)O

Isomeric SMILES

CC1=C(C(=C2CC(OC2=C1C)CCOC(=O)CCN3C=CC(=O)C(=C3C)O)C)O

InChI

InChI=1S/C22H27NO6/c1-12-13(2)22-17(14(3)20(12)26)11-16(29-22)7-10-28-19(25)6-9-23-8-5-18(24)21(27)15(23)4/h5,8,16,26-27H,6-7,9-11H2,1-4H3