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

【InChIKey】

InChIKey=JUKHNCNDFOAFLT-IIBYNOLFSA-N

【SMILES】

COC(=O)[C@H]1Cc2c3ccccc3[nH]c2[C@H](N1C(=O)CCl)c4ccc5c(c4)OCO5

【MOL File】

(1R,3R)-METHYL-1,2,3….mol

2Chemical and Physical Properties

【Computed Properties】

H bond donor:1

H bond acceptor:7

XLogP3:3.0

Bulk/Fine:FB

3Material Safety Data Sheet(MSDS)

4CML File

(1R,3R)-METHYL-1,2,3,4-TETRAHYDRO-2-CHLOROACETYL-1-(3,4-METHYLENEDIOXYPHENYL)-9H-PYRIDO[3,4-B]INDOLE-3-CARBOXYLATE.cml

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171596-58-0 (1R,3R)-METHYL-1,2,3,4-TETRAHYDRO-2-CHLOROACETYL-1-(3,4-METHYLENEDIOXYPHENYL)-9H-PYRIDO[3,4-B]INDOLE-3-CARBOXYLATE

1Identification

【Name】

【CAS】

【MDL】

【English Synonyms】

【Formula】

【MolWeight】

【Inchi】