basic_info |
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| Product_Name: | 1H-INDOLE-1,5-DICARBOXYLIC ACID, 1-(1,1-DIMETHYLETHYL) 5-ETHYL ESTER |
| CAS: | 850407-50-0 |
| EnglishSynonyms: | 1H-INDOLE-1,5-DICARBOXYLIC ACID, 1-(1,1-DIMETHYLETHYL) 5-ETHYL ESTER |
| pro_mdlNumber: | MFCD13183405 |
| pro_acceptors: | 5 |
| pro_donors: | 0 |
| pro_smile: | CCOC(=O)c1ccc2c(c1)ccn2C(=O)OC(C)(C)C |
| InChi: | InChI=1S/C16H19NO4/c1-5-20-14(18)12-6-7-13-11(10-12)8-9-17(13)15(19)21-16(2,3)4/h6-10H,5H2,1-4H3 |
| InChiKey: | InChIKey=RDVXHQVMOBSSDY-UHFFFAOYSA-N |
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