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CHEBI:107500 - 4-[dimethylamino(oxo)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester

ChEBI IDCHEBI:107500
ChEBI Name4-[dimethylamino(oxo)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester
Stars
Last Modified7 March 2018
DownloadsMolfile
FormulaC12H18N2O3
Net Charge0
Average Mass238.287
Monoisotopic Mass238.13174
SMILESCCOC(=O)c1nc(C)c(C(=O)N(C)C)c1C
InChIInChI=1S/C12H18N2O3/c1-6-17-12(16)10-7(2)9(8(3)13-10)11(15)14(4)5/h13H,6H2,1-5H3
InChIKeyCTHCFZVMGUABNT-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-[dimethylamino(oxo)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester (CHEBI:107500) is a ethyl ester (CHEBI:23990)
4-[dimethylamino(oxo)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester (CHEBI:107500) is a pyrroles (CHEBI:26455)
4-[dimethylamino(oxo)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester (CHEBI:107500) is a tertiary carboxamide (CHEBI:140326)
Manual XrefsDatabases
LSM-18855LINCS