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

Systemtic Name: ethyl 4-(3-bromanyl-4-fluoranyl-phenyl)-5-oxidanylidene-2-propyl-4,8-dihydro-1H-pyrano[3,4-b]pyridine-3-carboxylate Openeye Name: ethyl 4-(3-bromo-4-fluoro-phenyl)-5-oxo-2-propyl-4,8-dihydro-1H-pyrano[3,4-b]pyridine-3-carboxylate CAS Name: 4-(3-bromo-4-fluorophenyl)-5-oxo-2-propyl-4,8-dihydro-1H-pyrano[3,4-b]pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-bromo-4-fluorophenyl)-5-oxo-2-propyl-4,8-dihydro-1H-pyrano[3,4-b]pyridine-3-carboxylate Traditional Name: 4-(3-bromo-4-fluoro-phenyl)-5-keto-2-propyl-4,8-dihydro-1H-pyrano[3,4-b]pyridine-3-carboxylic acid ethyl ester Formula: C20H21BrFNO4 MolecularWeight: 438.287443

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(C2=C(N1)COCC2=O)C3=CC(=C(C=C3)F)Br)C(=O)OCC

Isomeric SMILES

CCCC1=C(C(C2=C(N1)COCC2=O)C3=CC(=C(C=C3)F)Br)C(=O)OCC

InChI

InChI=1S/C20H21BrFNO4/c1-3-5-14-19(20(25)27-4-2)17(11-6-7-13(22)12(21)8-11)18-15(23-14)9-26-10-16(18)24/h6-8,17,23H,3-5,9-10H2,1-2H3