CHEBI:48524 - 3-[2-(2,6-dichlorophenyl)-6-quinolyl]-1-hydroxy-1-methoxypropan-2-yl 2,6-dichlorobenzoate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-[2-(2,6-dichlorophenyl)-6-quinolyl]-1-hydroxy-1-methoxypropan-2-yl 2,6-dichlorobenzoate
ChEBI ID CHEBI:48524
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C26H19Cl4NO4
Net Charge 0
Average Mass 551.24500
Monoisotopic Mass 549.00682
InChI InChI=1S/C26H19Cl4NO4/c1-34-25(32)22(35-26(33)24-18(29)6-3-7-19(24)30)13-14-8-10-20-15(12-14)9-11-21(31-20)23-16(27)4-2-5-17(23)28/h2-12,22,25,32H,13H2,1H3
InChIKey ASAAZMYEEXPXTE-UHFFFAOYSA-N
SMILES COC(O)C(Cc1ccc2nc(ccc2c1)-c1c(Cl)cccc1Cl)OC(=O)c1c(Cl)cccc1Cl
ChEBI Ontology
Outgoing 3-[2-(2,6-dichlorophenyl)-6-quinolyl]-1-hydroxy-1-methoxypropan-2-yl 2,6-dichlorobenzoate (CHEBI:48524) is a benzoate ester (CHEBI:36054)
3-[2-(2,6-dichlorophenyl)-6-quinolyl]-1-hydroxy-1-methoxypropan-2-yl 2,6-dichlorobenzoate (CHEBI:48524) is a dichlorobenzene (CHEBI:23697)
3-[2-(2,6-dichlorophenyl)-6-quinolyl]-1-hydroxy-1-methoxypropan-2-yl 2,6-dichlorobenzoate (CHEBI:48524) is a hemiacetal (CHEBI:5653)
3-[2-(2,6-dichlorophenyl)-6-quinolyl]-1-hydroxy-1-methoxypropan-2-yl 2,6-dichlorobenzoate (CHEBI:48524) is a quinolines (CHEBI:26513)
IUPAC Name
3-[2-(2,6-dichlorophenyl)quinolin-6-yl]-1-hydroxy-1-methoxypropan-2-yl 2,6-dichlorobenzoate
Synonym Source
1-{[2-(2,6-dichlorophenyl)-6-quinolinyl]methyl}-2-(methyloxy)-2-oxoethyl 2,6-dichlorobenzoate Patent
Manual Xref Database
EP1870402 Patent
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Last Modified
22 October 2014