Compound Identification
SMILES
CCCCCCCC1=CC=C(C=C1)C1=NC=C(C=N1)C1=CC=C(OC(C)C(=O)OCCCCC)C=C1
InChIKey
InChIKey=GATZTZLJGSWZCM-UHFFFAOYSA-N
Formula
C31H40N2O3
Mass
488.672
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
2-phenoxypropionic acid esters
Intermediate Tree Nodes
Not available
Direct Parent
2-phenoxypropionic acid esters
Alternative Parents
Phenylpyrimidines Phenoxyacetic acid derivatives Phenoxy compounds Phenol ethers Alkyl aryl ethers Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenoxypropionic acid ester - 5-phenylpyrimidine - Phenoxyacetate - Phenoxy compound - Phenol ether - Alkyl aryl ether - Pyrimidine - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 2-phenoxypropionic acid esters. These are aromatic compounds hat contain a phenol ether attached to the C2-atom of a phenylpropionic acid ester.
External Descriptors
Not available