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S6T

Summary
Name:pretilachlor
Synonyms:2-chloranyl-~{N}-(2,6-diethylphenyl)-~{N}-(2-propoxyethyl)ethanamide
2-chloro-N-(2,6-diethylphenyl)-N-(2-propoxyethyl)acetamide
Formula:C17 H26 Cl N O2
Formal charge:0
Formula weight:311.847 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.72-chloranyl-~{N}-(2,6-diethylphenyl)-~{N}-(2-propoxyethyl)ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C17H26ClNO2/c1-4-11-21-12-10-19(16(20)13-18)17-14(5-2)8-7-9-15(17)6-3/h7-9H,4-6,10-13H2,1-3H3
InChIKeyInChI1.03YLPGTOIOYRQOHV-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCCOCCN(C(=O)CCl)c1c(CC)cccc1CC
SMILESCACTVS3.385CCCOCCN(C(=O)CCl)c1c(CC)cccc1CC
SMILES_CANONICALOpenEye OEToolkits2.0.7CCCOCCN(c1c(cccc1CC)CC)C(=O)CCl
SMILESOpenEye OEToolkits2.0.7CCCOCCN(c1c(cccc1CC)CC)C(=O)CCl

223790

PDB entries from 2024-08-14

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