basic_info |
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Product_Name: | 1H-PYRROLE-2-CARBOXYLIC ACID, 4-ACETYL-3,5-DIMETHYL-, PHENYLMETHYL ESTER |
CAS: | 2386-27-8 |
EnglishSynonyms: | BENZYL 4-ACETYL-3,5-DIMETHYL-2-PYRROLECARBOXYLATE ; 1H-PYRROLE-2-CARBOXYLIC ACID, 4-ACETYL-3,5-DIMETHYL-, PHENYLMETHYL ESTER |
pro_mdlNumber: | MFCD00159451 |
pro_acceptors: | 4 |
pro_donors: | 1 |
pro_smile: | Cc1c(c([nH]c1C(=O)OCc2ccccc2)C)C(=O)C |
InChi: | InChI=1S/C16H17NO3/c1-10-14(12(3)18)11(2)17-15(10)16(19)20-9-13-7-5-4-6-8-13/h4-8,17H,9H2,1-3H3 |
InChiKey: | InChIKey=DCMOOVZANVKOKC-UHFFFAOYSA-N |
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