Compound Identification
SMILES
CCCC1(CC(O)=O)OCCC2=C1NC1=C2C=CC=C1C1=CC=C(Cl)C=C1
InChIKey
InChIKey=RXKHEVWPOLXBLN-UHFFFAOYSA-N
Formula
C22H22ClNO3
Mass
383.87
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Indoles and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Indoles and derivatives
Subclass
Indolyl carboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Indolyl carboxylic acids and derivatives
Alternative Parents
3-alkylindoles Medium-chain fatty acids Chlorobenzenes Halogenated fatty acids Heterocyclic fatty acids Aryl chlorides Pyrroles Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Carboxylic acids Dialkyl ethers Monocarboxylic acids and derivatives Organochlorides Carbonyl compounds Organic oxides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indolyl carboxylic acid derivative - 3-alkylindole - Indole - Medium-chain fatty acid - Chlorobenzene - Halobenzene - Halogenated fatty acid - Heterocyclic fatty acid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Fatty acyl - Fatty acid - Benzenoid - Heteroaromatic compound - Pyrrole - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Oxacycle - Azacycle - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organochloride - Organic nitrogen compound - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as indolyl carboxylic acids and derivatives. These are compounds containing a carboxylic acid chain (of at least 2 carbon atoms) linked to an indole ring.
External Descriptors
Not available