Compound Identification
SMILES
OCC(CNCCC1=CC=C(OCC([O-])=O)C=C1)C1=CC=CC=C1
InChIKey
InChIKey=KTKWHQPMUQCUTQ-UHFFFAOYSA-M
Formula
C19H22NO4
Mass
328.389
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
Phenethylamines Phenoxy compounds Phenol ethers Alkyl aryl ethers Aralkylamines 1,3-aminoalcohols Amino acids Carboxylic acid salts Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Primary alcohols Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic anions
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenoxyacetate - Phenethylamine - Phenoxy compound - Phenol ether - Alkyl aryl ether - Aralkylamine - 1,3-aminoalcohol - Amino acid or derivatives - Amino acid - Carboxylic acid salt - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Ether - Monocarboxylic acid or derivatives - Secondary amine - Amine - Organic oxygen compound - Alcohol - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Organonitrogen compound - Organooxygen compound - Primary alcohol - Organic anion - Aromatic homomonocyclic 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