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WHZ

Summary
Name:(1R,2S)-2-(3,4-dichlorobenzamido)cyclohexane-1-carboxylic acid
Formula:C14 H15 Cl2 N O3
Formal charge:0
Formula weight:316.18 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(1R,2S)-2-(3,4-dichlorobenzamido)cyclohexane-1-carboxylic acid
OpenEye OEToolkits2.0.7(1~{R},2~{S})-2-[(3,4-dichlorophenyl)carbonylamino]cyclohexane-1-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(NC1CCCCC1C(=O)O)c1ccc(Cl)c(Cl)c1
InChIInChI1.06InChI=1S/C14H15Cl2NO3/c15-10-6-5-8(7-11(10)16)13(18)17-12-4-2-1-3-9(12)14(19)20/h5-7,9,12H,1-4H2,(H,17,18)(H,19,20)/t9-,12+/m1/s1
InChIKeyInChI1.06UNBOSHDTTWSTJX-SKDRFNHKSA-N
SMILES_CANONICALCACTVS3.385OC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c2ccc(Cl)c(Cl)c2
SMILESCACTVS3.385OC(=O)[CH]1CCCC[CH]1NC(=O)c2ccc(Cl)c(Cl)c2
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(c(cc1C(=O)N[C@H]2CCCC[C@H]2C(=O)O)Cl)Cl
SMILESOpenEye OEToolkits2.0.7c1cc(c(cc1C(=O)NC2CCCCC2C(=O)O)Cl)Cl

222415

PDB entries from 2024-07-10

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