Compound Identification
SMILES
OC(=O)\C=C\C(O)=O.CCOC(=O)C(C)(C)OC1=CC2=C(CCC(=C2)N2C=CN=C2)C=C1
InChIKey
InChIKey=NAEMVELZXVEWMB-WLHGVMLRSA-N
Formula
C23H26N2O7
Mass
442.468
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
Naphthalenes Phenol ethers Imidazolyl carboxylic acids and derivatives Alkyl aryl ethers Unsaturated fatty acids N-substituted imidazoles Dicarboxylic acids and derivatives Heteroaromatic compounds Carboxylic acid esters Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Phenoxyacetate - Naphthalene - Imidazolyl carboxylic acid derivative - Phenol ether - Alkyl aryl ether - Dicarboxylic acid or derivatives - Fatty acyl - Fatty acid - Unsaturated fatty acid - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Carboxylic acid ester - Carboxylic acid derivative - Carboxylic acid - Ether - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - 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