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SummaryGeometryRelated PDB entries

63X

Summary
Name:Mofezolac
Synonyms:[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetic acid
Formula:C19 H17 N O5
Formal charge:0
Formula weight:339.342 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetic acid
OpenEye OEToolkits2.0.62-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]ethanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c3(OC)ccc(c2c(CC(O)=O)onc2c1ccc(OC)cc1)cc3
InChIInChI1.03InChI=1S/C19H17NO5/c1-23-14-7-3-12(4-8-14)18-16(11-17(21)22)25-20-19(18)13-5-9-15(24-2)10-6-13/h3-10H,11H2,1-2H3,(H,21,22)
InChIKeyInChI1.03DJEIHHYCDCTAAH-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1ccc(cc1)c2noc(CC(O)=O)c2c3ccc(OC)cc3
SMILESCACTVS3.385COc1ccc(cc1)c2noc(CC(O)=O)c2c3ccc(OC)cc3
SMILES_CANONICALOpenEye OEToolkits2.0.6COc1ccc(cc1)c2c(onc2c3ccc(cc3)OC)CC(=O)O
SMILESOpenEye OEToolkits2.0.6COc1ccc(cc1)c2c(onc2c3ccc(cc3)OC)CC(=O)O

218500

PDB entries from 2024-04-17

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