Compound Identification
SMILES
C[C@@H](NCCC1=CC=C(OC(C)(C)C(O)=O)C=C1)[C@H](O)C1=CC=C(O)C=C1
InChIKey
InChIKey=WUVZTEJFPJXMBW-KUHUBIRLSA-N
Formula
C21H27NO5
Mass
373.449
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
Phenethylamines Phenylpropanes Phenoxy compounds Phenol ethers 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Aralkylamines 1,2-aminoalcohols Amino acids Secondary alcohols Dialkylamines Carboxylic acids Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenoxyacetate - Phenethylamine - Phenylpropane - Phenoxy compound - Phenol ether - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aralkylamine - Secondary alcohol - Amino acid - Amino acid or derivatives - 1,2-aminoalcohol - Secondary amine - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Ether - Monocarboxylic acid or derivatives - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Alcohol - Carbonyl group - Organic oxygen compound - Aromatic alcohol - Amine - Hydrocarbon derivative - 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