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SMILES: O=C(OC(C)(C)C)N[C@H](c1ccc(Br)cc1)C Canonical SMILES: C[C@@H](c1ccc(cc1)Br)NC(=O)OC(C)(C)C InChI: InChI=1S/C13H18BrNO2/c1-9(10-5-7-11(14)8-6-10)15-12(16)17-13(2,3)4/h5-9H,1-4H3,(H,15,16)/t9-/m0/s1 InChIKey: KECPRZHCNCDSET-VIFPVBQESA-N
CBID:288800 http://www.chembase.cn/molecule-288800.html