- 2 of 2 defined stereocentres
1-{(3R,3aR)-3-[3-Fluoro-4-(trifluoromethoxy)phenyl]-8-methoxy-3,3a,4,5-tetrahydro-2H-benzo[g]indazol-2-yl}-2-hydroxyethanone
COc1ccc2c(c1)C3=NN([C@H]([C@H]3CC2)c4ccc(c(c4)F)OC(F)(F)F)C(=O)CO
InChI=1S/C21H18F4N2O4/c1-30-13-5-2-11-3-6-14-19(15(11)9-13)26-27(18(29)10-28)20(14)12-4-7-17(16(22)8-12)31-21(23,24)25/h2,4-5,7-9,14,20,28H,3,6,10H2,1H3/t14-,20-/m0/s1
RPGVJSZQQKMKSB-XOBRGWDASA-N
CSID:28517865, http://www.chemspider.com/Chemical-Structure.28517865.html (accessed 17:00, Dec 1, 2023)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
Click to predict properties on the Chemicalize site
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