(5-bromanyl-2-ethoxycarbonyl-1-benzofuran-3-yl)methyl 6-morpholin-4-ylpyridine-3-carboxylate

Systemtic Name: (5-bromanyl-2-ethoxycarbonyl-1-benzofuran-3-yl)methyl 6-morpholin-4-ylpyridine-3-carboxylate Openeye Name: (5-bromo-2-ethoxycarbonyl-benzofuran-3-yl)methyl 6-morpholinopyridine-3-carboxylate CAS Name: 6-(4-morpholinyl)-3-pyridinecarboxylic acid (5-bromo-2-ethoxycarbonyl-3-benzofuranyl)methyl ester IUPAC Name: (5-bromo-2-ethoxycarbonyl-1-benzofuran-3-yl)methyl 6-morpholin-4-ylpyridine-3-carboxylate Traditional Name: 6-morpholinonicotinic acid (5-bromo-2-carbethoxy-benzofuran-3-yl)methyl ester Formula: C22H21BrN2O6 MolecularWeight: 489.31594

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)COC(=O)C3=CN=C(C=C3)N4CCOCC4

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)COC(=O)C3=CN=C(C=C3)N4CCOCC4

InChI

InChI=1S/C22H21BrN2O6/c1-2-29-22(27)20-17(16-11-15(23)4-5-18(16)31-20)13-30-21(26)14-3-6-19(24-12-14)25-7-9-28-10-8-25/h3-6,11-12H,2,7-10,13H2,1H3