![Chemical structure of (1S,3S)-1-(1,3-Benzodioxol-5-yl)-2-(2-chloroacetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic Acid Methyl Ester, CAS 629652-42-2](https://api.angenesci.com/structure/3014/629652-42-2.png)
| CAS Number | 629652-42-2 |
| Catalog Number | AG00EEY7(AGN-PC-0T6PEJ) |
| Chemical Name | (1S,3S)-1-(1,3-Benzodioxol-5-yl)-2-(2-chloroacetyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic Acid Methyl Ester |
| IUPAC Name | methyl (1S,3R)-1-(1,3-benzodioxol-5-yl)-2-(2-chloroacetyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate |
| InChI | InChI=1S/C22H19ClN2O5/c1-28-22(27)16-9-14-13-4-2-3-5-15(13)24-20(14)21(25(16)19(26)10-23)12-6-7-17-18(8-12)30-11-29-17/h2-8,16,21,24H,9-11H2,1H3/t16-,21+/m1/s1 |
| InChI Key | JUKHNCNDFOAFLT-IERDGZPVSA-N |
| MDL Number | MFCD27918681 |
| Molecular Formula | C22H19ClN2O5 |
| Molecular Weight | 426.8497 |
| SMILES | COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](N1C(=O)CCl)c4ccc5OCOc5c4 |
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