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-M
Formula
C21H21N2O5
Mass
381.409
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 Phenylalkylamines Phenoxy compounds Phenol ethers Aniline and substituted anilines Benzonitriles Secondary alkylarylamines Alkyl aryl ethers Dicarboxylic acids and derivatives Carboxylic acid salts Carboxylic acid esters Amino acids Carboxylic acids Nitriles Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic anions
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenoxyacetate - Alpha-amino acid - Alpha-amino acid or derivatives - Phenoxy compound - O-xylene - Xylene - Phenol ether - Benzonitrile - Phenylalkylamine - Aniline or substituted anilines - Alkyl aryl ether - Aralkylamine - Secondary aliphatic/aromatic amine - Dicarboxylic acid or derivatives - Carboxylic acid salt - Carboxylic acid ester - Amino acid - Amino acid or derivatives - Carboxylic acid derivative - Secondary amine - Carboxylic acid - Ether - Carbonitrile - Nitrile - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Cyanide - Organooxygen compound - Amine - Organic oxide - Organonitrogen compound - Organic anion - 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