Compound Identification
SMILES
CCC1=C(CC)C2=NC1=CC1=C(CCCO)C(C)=C(N1)C=NC1=CC(OCC(O)=O)=C(OCOCCOCCOCN3C=CN=C3)C=C1N=CC1=NC(=C2)C(CCCCO)=C1C
InChIKey
InChIKey=CLDZJADFFJVQOH-UHFFFAOYSA-N
Formula
C46H57N7O9
Mass
852.002
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
Alkyl aryl ethers Substituted pyrroles N-substituted imidazoles Heteroaromatic compounds Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Azacyclic compounds Acetals Primary alcohols Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenoxyacetate - Alkyl aryl ether - N-substituted imidazole - Substituted pyrrole - Azole - Imidazole - Heteroaromatic compound - Pyrrole - Acetal - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Primary alcohol - Alcohol - 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