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O0D

Summary
Name:(2R)-2-{4-[(3,5-dichloropyridin-2-yl)oxy]phenoxy}propanoic acid
Formula:C14 H11 Cl2 N O4
Formal charge:0
Formula weight:328.147 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2R)-2-{4-[(3,5-dichloropyridin-2-yl)oxy]phenoxy}propanoic acid
OpenEye OEToolkits2.0.7(2~{R})-2-[4-[3,5-bis(chloranyl)pyridin-2-yl]oxyphenoxy]propanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc2c(Oc1ccc(cc1)OC(C)C(O)=O)ncc(c2)Cl
InChIInChI1.03InChI=1S/C14H11Cl2NO4/c1-8(14(18)19)20-10-2-4-11(5-3-10)21-13-12(16)6-9(15)7-17-13/h2-8H,1H3,(H,18,19)/t8-/m1/s1
InChIKeyInChI1.03SVGBNTOHFITEDI-MRVPVSSYSA-N
SMILES_CANONICALCACTVS3.385C[C@@H](Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1)C(O)=O
SMILESCACTVS3.385C[CH](Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1)C(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.7C[C@H](C(=O)O)Oc1ccc(cc1)Oc2c(cc(cn2)Cl)Cl
SMILESOpenEye OEToolkits2.0.7CC(C(=O)O)Oc1ccc(cc1)Oc2c(cc(cn2)Cl)Cl

223532

PDB entries from 2024-08-07

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