Compound Identification
SMILES
CC(C)(C)C1=C(C=C(CN2C=C(COC(=O)C3=CC=C(OC(C)(C)C(O)=O)C=C3)C=N2)C=C1)C(C)(C)C
InChIKey
InChIKey=PQHRNGGSZHCOSP-UHFFFAOYSA-N
Formula
C30H38N2O5
Mass
506.643
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
Benzoic acid esters Phenylpropanes Phenoxy compounds Phenol ethers Benzoyl derivatives Alkyl aryl ethers Pyrazoles Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenoxyacetate - Benzoate ester - Benzoic acid or derivatives - Phenylpropane - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - Azole - Heteroaromatic compound - Pyrazole - Carboxylic acid ester - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Ether - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic 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