Compound Identification
SMILES
C[C@]12CC[C@H]3[C@@H](CC[C@H]4CNC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2OC(=O)COC1=CC=C(C=C1)N(CCCl)CCCl
InChIKey
InChIKey=XACVDPCGRAMKST-DZBYZWQYSA-N
Formula
C31H42Cl2N2O4
Mass
577.59
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
Aminophenyl ethers Aniline and substituted anilines Dialkylarylamines Nitrogen mustard compounds Phenoxy compounds Azepines Alkyl aryl ethers Lactams Carboxylic acid esters Amino acids and derivatives Secondary carboxylic acid amides Monocarboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Alkyl chlorides Carbonyl compounds Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenoxyacetate - Aminophenyl ether - Phenoxy compound - Nitrogen mustard - Phenol ether - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Alkyl aryl ether - Azepine - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Lactam - Secondary carboxylic acid amide - Tertiary amine - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Amine - Alkyl halide - Organic nitrogen compound - Alkyl chloride - Carbonyl group - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - 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