Compound Identification
SMILES
CCC1=C(NC(CNC[C@H](O)C2=CC(F)=CC=C2)=C1C(=O)OC)C(=O)OC(C)(C)C
InChIKey
InChIKey=BDUXOAKSGXEYJL-KRWDZBQOSA-N
Formula
C22H29FN2O5
Mass
420.481
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Pyrroles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrroles
Subclass
Pyrrole carboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Pyrrole carboxylic acids and derivatives
Alternative Parents
Aralkylamines Fluorobenzenes Substituted pyrroles Aryl fluorides Vinylogous amides Heteroaromatic compounds Methyl esters Amino acids and derivatives Secondary alcohols 1,2-aminoalcohols Dialkylamines Azacyclic compounds Organofluorides Aromatic alcohols Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Pyrrole-3-carboxylic acid or derivatives - Pyrrole-2-carboxylic acid or derivatives - Halobenzene - Fluorobenzene - Aralkylamine - Aryl fluoride - Aryl halide - Substituted pyrrole - Benzenoid - Monocyclic benzene moiety - Methyl ester - Vinylogous amide - Heteroaromatic compound - Carboxylic acid ester - 1,2-aminoalcohol - Secondary alcohol - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Secondary aliphatic amine - Secondary amine - Organic oxygen compound - Amine - Aromatic alcohol - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyrrole carboxylic acids and derivatives. These are heterocyclic compounds containing a pyrrole ring bearing a carboxyl group (or a derivative thereof).
External Descriptors
Not available