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32F

Summary
Name:2-[4-(4-oxidanylidene-3H-quinazolin-2-yl)phenoxy]ethanoic acid
Formula:C16 H12 N2 O4
Formal charge:0
Formula weight:296.277 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01[4-(4-oxo-3,4-dihydroquinazolin-2-yl)phenoxy]acetic acid
OpenEye OEToolkits1.9.22-[4-(4-oxidanylidene-3H-quinazolin-2-yl)phenoxy]ethanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)COc3ccc(C2=Nc1c(cccc1)C(=O)N2)cc3
InChIInChI1.03InChI=1S/C16H12N2O4/c19-14(20)9-22-11-7-5-10(6-8-11)15-17-13-4-2-1-3-12(13)16(21)18-15/h1-8H,9H2,(H,19,20)(H,17,18,21)
InChIKeyInChI1.03NQBPCQCEUSKHLK-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)COc1ccc(cc1)C2=Nc3ccccc3C(=O)N2
SMILESCACTVS3.385OC(=O)COc1ccc(cc1)C2=Nc3ccccc3C(=O)N2
SMILES_CANONICALOpenEye OEToolkits1.9.2c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)OCC(=O)O
SMILESOpenEye OEToolkits1.9.2c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)OCC(=O)O

222415

數據於2024-07-10公開中

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