Compound Identification
SMILES
COC1=C(O[C@@H](C)C(O)=O)C=CC(\C=C(\C#N)C2=NC3=CC=CC=C3N2)=C1
InChIKey
InChIKey=MTKWGDDERGJTLU-CJAAZZPWSA-N
Formula
C20H17N3O4
Mass
363.373
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass 2-phenoxypropionic acids
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
2-phenoxypropionic acids
Intermediate Tree Nodes
Not available
Direct Parent
2-phenoxypropionic acids
Alternative Parents
Phenoxyacetic acid derivatives Benzimidazoles Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Imidazoles Heteroaromatic compounds Nitriles Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenoxypropionic acid - Phenoxyacetate - Benzimidazole - Phenol ether - Methoxybenzene - Phenoxy compound - Anisole - Alkyl aryl ether - Heteroaromatic compound - Imidazole - Azole - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Carboxylic acid - Ether - Carboxylic acid derivative - Carbonitrile - Nitrile - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Cyanide - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 2-phenoxypropionic acids. These are aromatic compounds hat contain a phenol ether attached to the C2-atom of a phenylpropionic acid.
External Descriptors
Not available