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CHEBI:191081 - Carbamic acid, [(3,4-dichlorophenyl)methyl]-, (1s)-2,3-dihydro-1h-inden-1-yl ester

Default Structure
ChEBI IDCHEBI:191081
ChEBI NameCarbamic acid, [(3,4-dichlorophenyl)methyl]-, (1s)-2,3-dihydro-1h-inden-1-yl ester
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H15Cl2NO2
Net Charge0
Average Mass336.218
Monoisotopic Mass335.04798
SMILESO=C(NCc1ccc(Cl)c(Cl)c1)O[C@H]1CCc2ccccc21
InChIInChI=1S/C17H15Cl2NO2/c18-14-7-5-11(9-15(14)19)10-20-17(21)22-16-8-6-12-3-1-2-4-13(12)16/h1-5,7,9,16H,6,8,10H2,(H,20,21)/t16-/m0/s1
InChIKeyCKERQCMQSBFFKX-INIZCTEOSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) INS-1 cell (BTO:0002135) MetaboLights (MTBLS3963)
ChEBI Ontology
Outgoing Relation(s)
Carbamic acid, [(3,4-dichlorophenyl)methyl]-, (1s)-2,3-dihydro-1h-inden-1-yl ester (CHEBI:191081) is a indanes (CHEBI:46940)
IUPAC Name 
[(1S)-2,3-dihydro-1H-inden-1-yl] N-[(3,4-dichlorophenyl)methyl]carbamate
Manual XrefsDatabases
21467489ChemSpider