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SMILES: c1(c(n(c(c1)C)CC)C)C(=O)O Canonical SMILES: CCn1c(C)cc(c1C)C(=O)O InChI: InChI=1S/C9H13NO2/c1-4-10-6(2)5-8(7(10)3)9(11)12/h5H,4H2,1-3H3,(H,11,12) InChIKey: IVFAZMHRJRGODH-UHFFFAOYSA-N
CBID:249769 http://www.chembase.cn/molecule-249769.html