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SMILES: COc1c(Br)cc(OC)c2c1CCC2CN Canonical SMILES: COc1c(Br)cc(c2c1CCC2CN)OC InChI: InChI=1S/C12H16BrNO2/c1-15-10-5-9(13)12(16-2)8-4-3-7(6-14)11(8)10/h5,7H,3-4,6,14H2,1-2H3 InChIKey: HCLPGYNQMVSQIM-UHFFFAOYSA-N
CBID:125334 http://www.chembase.cn/molecule-125334.html