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O4G

Summary
Name:N-{3-[(furan-2-carbonyl)amino]phenyl}-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Formula:C20 H16 N2 O5
Formal charge:0
Formula weight:364.351 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-{3-[(furan-2-carbonyl)amino]phenyl}-2,3-dihydro-1,4-benzodioxine-6-carboxamide
OpenEye OEToolkits2.0.7~{N}-[3-(furan-2-ylcarbonylamino)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C(Nc1cc(ccc1)NC(c3ccc2OCCOc2c3)=O)(c4ccco4)=O
InChIInChI1.03InChI=1S/C20H16N2O5/c23-19(13-6-7-16-18(11-13)27-10-9-26-16)21-14-3-1-4-15(12-14)22-20(24)17-5-2-8-25-17/h1-8,11-12H,9-10H2,(H,21,23)(H,22,24)
InChIKeyInChI1.03QWGFUNDUGLPNFS-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385O=C(Nc1cccc(NC(=O)c2ccc3OCCOc3c2)c1)c4occc4
SMILESCACTVS3.385O=C(Nc1cccc(NC(=O)c2ccc3OCCOc3c2)c1)c4occc4
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(cc(c1)NC(=O)c2ccco2)NC(=O)c3ccc4c(c3)OCCO4
SMILESOpenEye OEToolkits2.0.7c1cc(cc(c1)NC(=O)c2ccco2)NC(=O)c3ccc4c(c3)OCCO4

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건을2024-07-17부터공개중

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