AC1N3TSZ

methyl 4-[4-[(4-chlorophenyl)methoxy]-3-nitrophenyl]-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate

Also Known As: Oprea1_144320|AK-968/40604169|methyl 4-{4-[(4-chlorobenzyl)oxy]-3-nitrophenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate|methyl 4-[4-[(4-chlorophenyl)methoxy]-3-nitrophenyl]-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate|methyl (4R)-4-[4-[(4-chlorophenyl)methoxy]-3-nitrophenyl]-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate|methyl 4-{4-[(4-chlorobenzyl)oxy]-3-nitrophenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Molecular Formula	C27H27ClN2O6
Molecular Weight	510.15576 g/mol
LogP	5.6042
Topological Polar Surface Area	107.77 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	7
Rotatable Bonds	6
Exact Mass	510.15576
Monoisotopic Mass	510.15576
Heavy Atoms	36
Complexity	1310.0441

Chemical Identifiers

CAS Number	397875-25-1
SMILES	CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C=C3)OCC4=CC=C(C=C4)Cl)[N+](=O)[O-])C(=O)OC