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SMILES: c1(C(=O)O)c(nccc1)OCC Canonical SMILES: CCOc1ncccc1C(=O)O InChI: InChI=1S/C8H9NO3/c1-2-12-7-6(8(10)11)4-3-5-9-7/h3-5H,2H2,1H3,(H,10,11) InChIKey: XCMJQQOMGWGGSI-UHFFFAOYSA-N
CBID:16418 http://www.chembase.cn/molecule-16418.html