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59Y

Summary
Name:8-(naphthalen-1-yl)quinoline-2-carboxylic acid
Formula:C20 H13 N O2
Formal charge:0
Formula weight:299.323 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.018-(naphthalen-1-yl)quinoline-2-carboxylic acid
OpenEye OEToolkits1.9.28-naphthalen-1-ylquinoline-2-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1(cccc2ccc(nc12)C(=O)O)c4c3c(cccc3)ccc4
InChIInChI1.03InChI=1S/C20H13NO2/c22-20(23)18-12-11-14-7-4-10-17(19(14)21-18)16-9-3-6-13-5-1-2-8-15(13)16/h1-12H,(H,22,23)
InChIKeyInChI1.03QMAYJELNBDAEMC-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)c1ccc2cccc(c3cccc4ccccc34)c2n1
SMILESCACTVS3.385OC(=O)c1ccc2cccc(c3cccc4ccccc34)c2n1
SMILES_CANONICALOpenEye OEToolkits1.9.2c1ccc2c(c1)cccc2c3cccc4c3nc(cc4)C(=O)O
SMILESOpenEye OEToolkits1.9.2c1ccc2c(c1)cccc2c3cccc4c3nc(cc4)C(=O)O

222415

數據於2024-07-10公開中

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