Compound Identification
SMILES
CCOC(=O)[C@H]1[C@H](CCC2=CC=CC=N2)NC[C@@H]1C1=CC2=C(OCO2)C=C1
InChIKey
InChIKey=XITJSNLHPBPHKP-FUHIMQAGSA-N
Formula
C21H24N2O4
Mass
368.433
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzodioxoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzodioxoles
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzodioxoles
Alternative Parents
Pyrrolidine carboxylic acids Aralkylamines Pyridines and derivatives Benzenoids Heteroaromatic compounds Carboxylic acid esters Amino acids and derivatives Monocarboxylic acids and derivatives Acetals Dialkylamines Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Aralkylamine - Pyridine - Benzenoid - Heteroaromatic compound - Pyrrolidine - Amino acid or derivatives - Carboxylic acid ester - Acetal - Carboxylic acid derivative - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Secondary amine - Organic nitrogen compound - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms.
External Descriptors
Not available