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A1EPD

Summary
Name:(~{E})-4-(7-methoxy-2-oxidanylidene-chromen-8-yl)-2-methyl-~{N},~{N}-dipropyl-but-2-enamide
Formula:C21 H27 N O4
Formal charge:0
Formula weight:357.443 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7(~{E})-4-(7-methoxy-2-oxidanylidene-chromen-8-yl)-2-methyl-~{N},~{N}-dipropyl-but-2-enamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C21H27NO4/c1-5-13-22(14-6-2)21(24)15(3)7-10-17-18(25-4)11-8-16-9-12-19(23)26-20(16)17/h7-9,11-12H,5-6,10,13-14H2,1-4H3
InChIKeyInChI1.06LVDCERBZZDZBAB-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCCN(CCC)C(=O)C(/C)=C/Cc1c(OC)ccc2C=CC(=O)Oc12
SMILESCACTVS3.385CCCN(CCC)C(=O)C(C)=CCc1c(OC)ccc2C=CC(=O)Oc12
SMILES_CANONICALOpenEye OEToolkits2.0.7CCCN(CCC)C(=O)/C(=C/Cc1c(ccc2c1OC(=O)C=C2)OC)/C
SMILESOpenEye OEToolkits2.0.7CCCN(CCC)C(=O)C(=CCc1c(ccc2c1OC(=O)C=C2)OC)C

254917

PDB entries from 2026-06-10

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