(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 6-morpholin-4-ylpyridine-3-carboxylate

Systemtic Name: (6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 6-morpholin-4-ylpyridine-3-carboxylate Openeye Name: (6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methyl 6-morpholinopyridine-3-carboxylate CAS Name: 6-(4-morpholinyl)-3-pyridinecarboxylic acid (6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl 6-morpholin-4-ylpyridine-3-carboxylate Traditional Name: 6-morpholinonicotinic acid (6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C22H22N2O6 MolecularWeight: 410.41988

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=CN=C(C=C3)N4CCOCC4)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=CN=C(C=C3)N4CCOCC4)O

InChI

InChI=1S/C22H22N2O6/c1-2-14-9-17-16(10-21(26)30-19(17)11-18(14)25)13-29-22(27)15-3-4-20(23-12-15)24-5-7-28-8-6-24/h3-4,9-12,25H,2,5-8,13H2,1H3