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A1EC0

Summary
Name:5-[[(6-ethoxy-2~{H}-chromen-3-yl)carbonylamino]methyl]-2-methyl-furan-3-carboxylic acid
Formula:C19 H19 N O6
Formal charge:0
Formula weight:357.357 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.75-[[(6-ethoxy-2~{H}-chromen-3-yl)carbonylamino]methyl]-2-methyl-furan-3-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C19H19NO6/c1-3-24-14-4-5-17-12(7-14)6-13(10-25-17)18(21)20-9-15-8-16(19(22)23)11(2)26-15/h4-8H,3,9-10H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyInChI1.06MMBIMPICMSSTDW-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCOc1ccc2OCC(=Cc2c1)C(=O)NCc3oc(C)c(c3)C(O)=O
SMILESCACTVS3.385CCOc1ccc2OCC(=Cc2c1)C(=O)NCc3oc(C)c(c3)C(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.7CCOc1ccc2c(c1)C=C(CO2)C(=O)NCc3cc(c(o3)C)C(=O)O
SMILESOpenEye OEToolkits2.0.7CCOc1ccc2c(c1)C=C(CO2)C(=O)NCc3cc(c(o3)C)C(=O)O

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PDB entries from 2026-02-04

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