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A1L6X

Summary
Name:1-[(2S)-2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole
Synonyms:miconazole
Formula:C18 H14 Cl4 N2 O
Formal charge:0
Formula weight:416.129 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.71-[(2~{S})-2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C18H14Cl4N2O/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22/h1-8,11,18H,9-10H2/t18-/m1/s1
InChIKeyInChI1.06BYBLEWFAAKGYCD-GOSISDBHSA-N
SMILES_CANONICALCACTVS3.385Clc1ccc(CO[C@H](Cn2ccnc2)c3ccc(Cl)cc3Cl)c(Cl)c1
SMILESCACTVS3.385Clc1ccc(CO[CH](Cn2ccnc2)c3ccc(Cl)cc3Cl)c(Cl)c1
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(c(cc1Cl)Cl)CO[C@H](Cn2ccnc2)c3ccc(cc3Cl)Cl
SMILESOpenEye OEToolkits2.0.7c1cc(c(cc1Cl)Cl)COC(Cn2ccnc2)c3ccc(cc3Cl)Cl

250359

PDB entries from 2026-03-11

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