Compound Identification
SMILES
CCOC(=O)COC1=C(C=C(C)C(C)=C1)C(NC1=CC=C(C=C1)C#N)C(O)=O
InChIKey
InChIKey=RQTIPYQUDFPEPN-UHFFFAOYSA-N
Formula
C21H22N2O5
Mass
382.416
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 o-Xylenes Aniline and substituted anilines Benzonitriles Phenol ethers Phenoxy compounds Phenylalkylamines Alkyl aryl ethers Secondary alkylarylamines Dicarboxylic acids and derivatives Carboxylic acid esters Amino acids Carboxylic acids Nitriles Hydrocarbon derivatives Organic oxides Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenoxyacetate - Alpha-amino acid - Alpha-amino acid or derivatives - Phenol ether - Phenoxy compound - O-xylene - Xylene - Aniline or substituted anilines - Benzonitrile - Phenylalkylamine - Alkyl aryl ether - Secondary aliphatic/aromatic amine - Aralkylamine - Dicarboxylic acid or derivatives - Amino acid or derivatives - Carboxylic acid ester - Amino acid - Carboxylic acid - Carboxylic acid derivative - Nitrile - Carbonitrile - Secondary amine - Ether - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Amine - Cyanide - Organic oxygen compound - 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