Compound Identification
SMILES
C[C@H](CN1C=CC2=C1C=CC=C2OCC(O)=O)NC[C@H](O)COC1=CC=CC=C1C1=CC=NS1
InChIKey
InChIKey=OFFFLKJRZSCZTA-MSOLQXFVSA-N
Formula
C25H27N3O5S
Mass
481.57
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
N-alkylindoles Indoles Phenol ethers Phenoxy compounds Alkyl aryl ethers Substituted pyrroles Thiazoles Heteroaromatic compounds 1,2-aminoalcohols Amino acids Secondary alcohols Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenoxyacetate - N-alkylindole - Indole - Indole or derivatives - Phenoxy compound - Phenol ether - Alkyl aryl ether - Substituted pyrrole - Azole - Heteroaromatic compound - Thiazole - Pyrrole - 1,2-aminoalcohol - Amino acid or derivatives - Amino acid - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Ether - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Secondary amine - Alcohol - Organic nitrogen compound - Organic oxygen compound - Amine - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Carbonyl group - 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