Compound Identification
SMILES
CCC1=C(C(=O)NCC2=CC3=C(C=C2)C(Br)=C(OC(CC2=CC=CC=C2)C(O)=O)C=C3)C2=CC=CC=C2O1
InChIKey
InChIKey=STCQUJDRQJWMRE-UHFFFAOYSA-N
Formula
C31H26BrNO5
Mass
572.455
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 Naphthalenes Benzofurans Phenol ethers Furan-3-carboxylic acid and derivatives Alkyl aryl ethers Aryl bromides Heteroaromatic compounds Secondary carboxylic acid amides Oxacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Organonitrogen compounds Carbonyl compounds Organic oxides Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-phenylpropanoic-acid - Phenoxyacetate - Naphthalene - Benzofuran - Furoic acid or derivatives - Furan-3-carboxylic acid or derivatives - Phenol ether - Alkyl aryl ether - Aryl bromide - Aryl halide - Heteroaromatic compound - Furan - Carboxamide group - Secondary carboxylic acid amide - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Organohalogen compound - Organobromide - 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