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SVQ

Summary
Name:1-(4-CHLOROPHENETHYL)-2-(2-CHLOROPHENYL)-6-OXOPIPERIDINE-3-CARBOXYLIC ACID
Formula:C20 H19 Cl2 N O3
Formal charge:0
Formula weight:392.276 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits1.7.6(2R,3R)-2-(2-chlorophenyl)-1-[2-(4-chlorophenyl)ethyl]-6-oxidanylidene-piperidine-3-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C20H19Cl2NO3/c21-14-7-5-13(6-8-14)11-12-23-18(24)10-9-16(20(25)26)19(23)15-3-1-2-4-17(15)22/h1-8,16,19H,9-12H2,(H,25,26)/t16-,19+/m1/s1
InChIKeyInChI1.03HVRGSGUCGHDVGY-APWZRJJASA-N
SMILES_CANONICALCACTVS3.385OC(=O)[C@@H]1CCC(=O)N(CCc2ccc(Cl)cc2)[C@H]1c3ccccc3Cl
SMILESCACTVS3.385OC(=O)[CH]1CCC(=O)N(CCc2ccc(Cl)cc2)[CH]1c3ccccc3Cl
SMILES_CANONICALOpenEye OEToolkits1.7.6c1ccc(c(c1)[C@H]2[C@@H](CCC(=O)N2CCc3ccc(cc3)Cl)C(=O)O)Cl
SMILESOpenEye OEToolkits1.7.6c1ccc(c(c1)C2C(CCC(=O)N2CCc3ccc(cc3)Cl)C(=O)O)Cl

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數據於2024-11-06公開中

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