Compound Identification
SMILES
COC1=CC(O[C@H](C(O)=O)[C@]2(NCC(=O)N(CC3=C(Cl)C=CC=C3Cl)C3=CC=CC=C23)C2=CC=CC=C2)=CC=C1
InChIKey
InChIKey=NXJHZQRDQFTXEZ-VEEOACQBSA-N
Formula
C31H26Cl2N2O5
Mass
577.46
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
Phenylpropanoic acids 1,4-benzodiazepines Alpha amino acids and derivatives Phenoxy compounds Methoxybenzenes Dichlorobenzenes Anisoles Alkyl aryl ethers Aralkylamines Aryl chlorides Tertiary carboxylic acid amides Lactams Amino acids Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Azacyclic compounds Organic oxides Organochlorides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenoxyacetate - 3-phenylpropanoic-acid - 1,4-benzodiazepine - Benzodiazepine - Alpha-amino acid or derivatives - Phenol ether - Phenoxy compound - 1,3-dichlorobenzene - Anisole - Methoxybenzene - Chlorobenzene - Aralkylamine - Halobenzene - Alkyl aryl ether - Aryl chloride - Aryl halide - Tertiary carboxylic acid amide - Amino acid or derivatives - Amino acid - Carboxamide group - Lactam - Monocarboxylic acid or derivatives - Azacycle - Ether - Secondary amine - Secondary aliphatic amine - Organoheterocyclic compound - Carboxylic acid - Carboxylic acid derivative - Organonitrogen compound - Amine - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Organohalogen compound - Organochloride - 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