AC1MO27X

methyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate

Also Known As: Oprea1_337451|AG-690/36170029|methyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate|SR-01000403159-1|methyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate|methyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate|methyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,7,8-p entahydroquinoline-3-carboxylate|methyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-5-hydroxy-2,7,7-trimethyl-4,6,7,8-tetrahydroquinoline-3-carboxylate

Molecular Formula	C21H24BrNO5
Molecular Weight	449.0838 g/mol
LogP	3.9403
Topological Polar Surface Area	84.86 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	3
Exact Mass	449.0838
Monoisotopic Mass	449.0838
Heavy Atoms	28
Complexity	928.9688

Chemical Identifiers

CAS Number	299404-79-8
SMILES	CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C(=C3)Br)O)OC)C(=O)OC