Compound Identification
SMILES
CCCC1=C(OC(C(O)=O)C2=CC=C(C=C2)C(C)C)C(CCC)=C2ON(C)C(=O)C2=C1
InChIKey
InChIKey=RYNHNIDEKCRWHJ-UHFFFAOYSA-N
Formula
C25H31NO5
Mass
425.525
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 Benzisoxazolones Bicyclic monoterpenoids Phenylpropanes Cumenes Phenol ethers Alkyl aryl ethers Isoxazoles Heteroaromatic compounds Lactams Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenoxyacetate - P-cymene - Aromatic monoterpenoid - Benzisoxazolone - Bicyclic monoterpenoid - Monoterpenoid - Benzisoxazole - Phenylpropane - Cumene - Phenol ether - Alkyl aryl ether - Azole - Heteroaromatic compound - Isoxazole - Lactam - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organic oxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organic nitrogen 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