CHEBI:114366 - 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-ethyl ester O2-[(2-fluorophenyl)methyl] ester

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-ethyl ester O2-[(2-fluorophenyl)methyl] ester
ChEBI ID CHEBI:114366
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C17H18FNO4
Net Charge 0
Average Mass 319.328
Monoisotopic Mass 319.12199
InChI InChI=1S/C17H18FNO4/c1-4-22-16(20)14-10(2)15(19-11(14)3)17(21)23-9-12-7-5-6-8-13(12)18/h5-8,19H,4,9H2,1-3H3
InChIKey XECCJSKVKMPDOS-UHFFFAOYSA-N
SMILES CCOC(=O)C1=C(NC(=C1C)C(=O)OCC2=CC=CC=C2F)C
ChEBI Ontology
Outgoing 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-ethyl ester O2-[(2-fluorophenyl)methyl] ester (CHEBI:114366) has functional parent benzyl alcohol (CHEBI:17987)
3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-ethyl ester O2-[(2-fluorophenyl)methyl] ester (CHEBI:114366) is a carboxylic ester (CHEBI:33308)
Manual Xref Database
LSM-25826 LINCS
View more database links