Compound Identification
SMILES
C[C@@H](NCCC1=CC(Cl)=C(OCC(O)=O)C=C1)[C@@H](O)C1=CC=C(O)C=C1
InChIKey
InChIKey=YNCNZXJRRRALAJ-CWTRNNRKSA-N
Formula
C19H22ClNO5
Mass
379.84
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
Phenylpropanes Phenethylamines Phenoxy compounds Phenol ethers 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Aralkylamines Chlorobenzenes Aryl chlorides Secondary alcohols 1,2-aminoalcohols Amino acids Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Organic oxides Hydrocarbon derivatives Aromatic alcohols Organochlorides Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenoxyacetate - Phenethylamine - Phenylpropane - Phenoxy compound - Phenol ether - Halobenzene - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Chlorobenzene - Aralkylamine - Phenol - Aryl chloride - Aryl halide - 1,2-aminoalcohol - Amino acid - Amino acid or derivatives - Secondary alcohol - Ether - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Secondary amine - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Aromatic alcohol - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Alcohol - Aromatic homomonocyclic 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