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65Z

Summary
Name:6,8-dichloro-4-phenyl-2-(piperidin-1-yl)quinoline-3-carboxylic acid
Formula:C21 H18 Cl2 N2 O2
Formal charge:0
Formula weight:401.286 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.016,8-dichloro-4-phenyl-2-(piperidin-1-yl)quinoline-3-carboxylic acid
OpenEye OEToolkits2.0.46,8-bis(chloranyl)-4-phenyl-2-piperidin-1-yl-quinoline-3-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01N1(CCCCC1)c2nc4c(cc(cc4c(c2C(=O)O)c3ccccc3)Cl)Cl
InChIInChI1.03InChI=1S/C21H18Cl2N2O2/c22-14-11-15-17(13-7-3-1-4-8-13)18(21(26)27)20(24-19(15)16(23)12-14)25-9-5-2-6-10-25/h1,3-4,7-8,11-12H,2,5-6,9-10H2,(H,26,27)
InChIKeyInChI1.03CXDOFNPXCPTGNV-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)c1c(nc2c(Cl)cc(Cl)cc2c1c3ccccc3)N4CCCCC4
SMILESCACTVS3.385OC(=O)c1c(nc2c(Cl)cc(Cl)cc2c1c3ccccc3)N4CCCCC4
SMILES_CANONICALOpenEye OEToolkits2.0.4c1ccc(cc1)c2c3cc(cc(c3nc(c2C(=O)O)N4CCCCC4)Cl)Cl
SMILESOpenEye OEToolkits2.0.4c1ccc(cc1)c2c3cc(cc(c3nc(c2C(=O)O)N4CCCCC4)Cl)Cl

222415

数据于2024-07-10公开中

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