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TJQ

Summary
Name:ethyl 5-[1,3-benzodioxol-5-ylmethyl(ethyl)carbamoyl]-2,4-dimethyl-1~{H}-pyrrole-3-carboxylate
Formula:C20 H24 N2 O5
Formal charge:0
Formula weight:372.415 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7ethyl 5-[1,3-benzodioxol-5-ylmethyl(ethyl)carbamoyl]-2,4-dimethyl-1~{H}-pyrrole-3-carboxylate

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C20H24N2O5/c1-5-22(10-14-7-8-15-16(9-14)27-11-26-15)19(23)18-12(3)17(13(4)21-18)20(24)25-6-2/h7-9,21H,5-6,10-11H2,1-4H3
InChIKeyInChI1.06MTVMTCROAUSHKU-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCOC(=O)c1c(C)[nH]c(c1C)C(=O)N(CC)Cc2ccc3OCOc3c2
SMILESCACTVS3.385CCOC(=O)c1c(C)[nH]c(c1C)C(=O)N(CC)Cc2ccc3OCOc3c2
SMILES_CANONICALOpenEye OEToolkits2.0.7CCN(Cc1ccc2c(c1)OCO2)C(=O)c3c(c(c([nH]3)C)C(=O)OCC)C
SMILESOpenEye OEToolkits2.0.7CCN(Cc1ccc2c(c1)OCO2)C(=O)c3c(c(c([nH]3)C)C(=O)OCC)C

248636

PDB entries from 2026-02-04

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