Compound Identification
SMILES
CC1=C(CNC2=C3C=C(OC3=CC=C2)\C=C\C([O-])=O)C(C)(C)CCC1
InChIKey
InChIKey=MLKGIWBMODUWFL-MDZDMXLPSA-M
Formula
C21H24NO3
Mass
338.428
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzofurans
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzofurans
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzofurans
Alternative Parents
Secondary alkylarylamines Benzenoids Heteroaromatic compounds Furans Carboxylic acid salts Amino acids Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzofuran - Secondary aliphatic/aromatic amine - Benzenoid - Furan - Heteroaromatic compound - Amino acid or derivatives - Carboxylic acid salt - Amino acid - Secondary amine - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Oxacycle - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Amine - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic anion - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzofurans. These are organic compounds containing a benzene ring fused to a furan. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom.
External Descriptors
Not available