Compound Identification
SMILES
C[C@@H](CC1=CNC2=C1C=CC=C2OCC(O)=O)NC[C@H](O)C1=CC(Cl)=CC=C1
InChIKey
InChIKey=FHEYFIGWYQJVDR-UGSOOPFHSA-N
Formula
C21H23ClN2O4
Mass
402.88
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenoxyacetic acid derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Phenoxyacetic acid derivatives
Alternative Parents
3-alkylindoles Alkyl aryl ethers Chlorobenzenes Aralkylamines Substituted pyrroles Aryl chlorides Heteroaromatic compounds Secondary alcohols 1,2-aminoalcohols Amino acids Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Azacyclic compounds Aromatic alcohols Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenoxyacetate - 3-alkylindole - Indole or derivatives - Indole - Alkyl aryl ether - Halobenzene - Aralkylamine - Chlorobenzene - Substituted pyrrole - Aryl chloride - Aryl halide - Pyrrole - Heteroaromatic compound - 1,2-aminoalcohol - Amino acid or derivatives - Amino acid - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Azacycle - Secondary aliphatic amine - Ether - Organoheterocyclic compound - Secondary amine - Monocarboxylic acid or derivatives - Organopnictogen compound - Amine - Organic oxygen compound - Alcohol - Organic nitrogen compound - Carbonyl group - Aromatic alcohol - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative.
External Descriptors
Not available