Compound Identification
SMILES
CCC(OC1=CC2=C(C=C1)C=C(Br)C=C2)C(=O)OC1C[C@@H]2CC[C@H](C1)N2C
InChIKey
InChIKey=DLKAESHNMPTXAJ-FWGXRIOKSA-N
Formula
C22H26BrNO3
Mass
432.358
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
Naphthalenes Tropane alkaloids Phenol ethers Alkyl aryl ethers Fatty acid esters Piperidines N-alkylpyrrolidines Aryl bromides Trialkylamines Amino acids and derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenoxyacetate - Naphthalene - Tropane alkaloid - Phenol ether - Alkyl aryl ether - Fatty acid ester - Aryl bromide - Aryl halide - Fatty acyl - N-alkylpyrrolidine - Piperidine - Pyrrolidine - Amino acid or derivatives - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - Azacycle - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Amine - Carbonyl group - Organic oxide - Organic oxygen compound - Organooxygen compound - Organic nitrogen 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