propan-2-yl 4-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-2-methylidene-5-oxidanylidene-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate

Systemtic Name: propan-2-yl 4-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-2-methylidene-5-oxidanylidene-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Openeye Name: isopropyl 4-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-methylene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate CAS Name: 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-methylene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-methylidene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Traditional Name: 4-(3-bromo-4-hydroxy-5-methoxy-phenyl)-5-keto-2-methylene-1,3,4,6,7,8-hexahydroquinoline-3-carboxylic acid isopropyl ester Formula: C21H24BrNO5 MolecularWeight: 450.32296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1C(C2=C(CCCC2=O)NC1=C)C3=CC(=C(C(=C3)Br)O)OC

Isomeric SMILES

CC(C)OC(=O)C1C(C2=C(CCCC2=O)NC1=C)C3=CC(=C(C(=C3)Br)O)OC

InChI

InChI=1S/C21H24BrNO5/c1-10(2)28-21(26)17-11(3)23-14-6-5-7-15(24)19(14)18(17)12-8-13(22)20(25)16(9-12)27-4/h8-10,17-18,23,25H,3,5-7H2,1-2,4H3