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SMILES: O=C(OC(C)(C)C)N(c1ncc(Br)cc1)CCC Canonical SMILES: CCCN(c1ccc(cn1)Br)C(=O)OC(C)(C)C InChI: InChI=1S/C13H19BrN2O2/c1-5-8-16(12(17)18-13(2,3)4)11-7-6-10(14)9-15-11/h6-7,9H,5,8H2,1-4H3 InChIKey: VZDUUOKOSIHTEL-UHFFFAOYSA-N
CBID:290290 http://www.chembase.cn/molecule-290290.html