Compound Identification
SMILES
CC(C)(OC1=CC=CC(CCN(CC(O)=O)C2=NC3=CC=CC=C3O2)=C1)C(O)=O
InChIKey
InChIKey=ZRNVMTDZODFSPE-UHFFFAOYSA-N
Formula
C21H22N2O6
Mass
398.415
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
Alpha amino acids and derivatives Benzoxazoles Phenoxy compounds Phenol ethers Dialkylarylamines Alkyl aryl ethers Dicarboxylic acids and derivatives Oxazoles Heteroaromatic compounds Oxacyclic compounds Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenoxyacetate - Alpha-amino acid or derivatives - Benzoxazole - Phenoxy compound - Dialkylarylamine - Phenol ether - Alkyl aryl ether - Dicarboxylic acid or derivatives - Azole - Heteroaromatic compound - Oxazole - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Ether - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Amine - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - 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