ethyl 4-(3-bromanyl-4-fluoranyl-phenyl)-2-butyl-5-oxidanylidene-4,8-dihydro-1H-pyrano[3,4-b]pyridine-3-carboxylate

Systemtic Name: ethyl 4-(3-bromanyl-4-fluoranyl-phenyl)-2-butyl-5-oxidanylidene-4,8-dihydro-1H-pyrano[3,4-b]pyridine-3-carboxylate Openeye Name: ethyl 4-(3-bromo-4-fluoro-phenyl)-2-butyl-5-oxo-4,8-dihydro-1H-pyrano[3,4-b]pyridine-3-carboxylate CAS Name: 4-(3-bromo-4-fluorophenyl)-2-butyl-5-oxo-4,8-dihydro-1H-pyrano[3,4-b]pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-bromo-4-fluorophenyl)-2-butyl-5-oxo-4,8-dihydro-1H-pyrano[3,4-b]pyridine-3-carboxylate Traditional Name: 4-(3-bromo-4-fluoro-phenyl)-2-butyl-5-keto-4,8-dihydro-1H-pyrano[3,4-b]pyridine-3-carboxylic acid ethyl ester Formula: C21H23BrFNO4 MolecularWeight: 452.314023

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(C2=C(N1)COCC2=O)C3=CC(=C(C=C3)F)Br)C(=O)OCC

Isomeric SMILES

CCCCC1=C(C(C2=C(N1)COCC2=O)C3=CC(=C(C=C3)F)Br)C(=O)OCC

InChI

InChI=1S/C21H23BrFNO4/c1-3-5-6-15-20(21(26)28-4-2)18(12-7-8-14(23)13(22)9-12)19-16(24-15)10-27-11-17(19)25/h7-9,18,24H,3-6,10-11H2,1-2H3