Compound Identification
SMILES
COC1=C(OCC([O-])=O)C=CC(C=NNC(=O)COC2=C(C=CC(C)=C2)C(C)C)=C1
InChIKey
InChIKey=AGLLHBWTSHUNRA-UHFFFAOYSA-M
Formula
C22H25N2O6
Mass
413.451
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
Aromatic monoterpenoids Monocyclic monoterpenoids Phenylpropanes Cumenes Phenoxy compounds Anisoles Methoxybenzenes Toluenes Alkyl aryl ethers Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives Organic anions
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenoxyacetate - P-cymene - Aromatic monoterpenoid - Monocyclic monoterpenoid - Monoterpenoid - Cumene - Phenylpropane - Anisole - Phenoxy compound - Methoxybenzene - Phenol ether - Alkyl aryl ether - Toluene - Carboxylic acid salt - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen 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