basic_info |
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| Product_Name: | 1H-PYRROLO[2,3-B]PYRIDINE-1,2-DICARBOXYLIC ACID, 5-(BENZOYLOXY)-, 1-(1,1-DIMETHYLETHYL) 2-ETHYL ESTER |
| CAS: | 823217-68-1 |
| EnglishSynonyms: | 1H-PYRROLO[2,3-B]PYRIDINE-1,2-DICARBOXYLIC ACID, 5-(BENZOYLOXY)-, 1-(1,1-DIMETHYLETHYL) 2-ETHYL ESTER |
| pro_mdlNumber: | MFCD16039003 |
| pro_acceptors: | 8 |
| pro_donors: | 0 |
| pro_smile: | CCOC(=O)c1cc2cc(cnc2n1C(=O)OC(C)(C)C)OC(=O)c3ccccc3 |
| InChi: | InChI=1S/C22H22N2O6/c1-5-28-20(26)17-12-15-11-16(29-19(25)14-9-7-6-8-10-14)13-23-18(15)24(17)21(27)30-22(2,3)4/h6-13H,5H2,1-4H3 |
| InChiKey: | InChIKey=XBYJVONGJVPZNN-UHFFFAOYSA-N |
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