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SMILES: c1(c(cc(cc1)[C@](CCC(=O)O)(C(C)C)C#N)OC)OC.N[C@@H](C)c1ccccc1 Canonical SMILES: C[C@@H](c1ccccc1)N.N#C[C@](c1ccc(c(c1)OC)OC)(C(C)C)CCC(=O)O InChI: InChI=1S/C16H21NO4.C8H11N/c1-11(2)16(10-17,8-7-15(18)19)12-5-6-13(20-3)14(9-12)21-4;1-7(9)8-5-3-2-4-6-8/h5-6,9,11H,7-8H2,1-4H3,(H,18,19);2-7H,9H2,1H3/t16-;7-/m00/s1 InChIKey: VNKDXBXOHWCAIP-PIUSWTIESA-N
CBID:179491 http://www.chembase.cn/molecule-179491.html