Compound Identification
SMILES
CCCCC1(CC(O)=O)OCCC2=C1NC1=C(F)C=C(F)C(C#N)=C21
InChIKey
InChIKey=DZILOBGGGXKHQU-UHFFFAOYSA-N
Formula
C18H18F2N2O3
Mass
348.35
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 Halogenated fatty acids Methyl-branched fatty acids Heterocyclic fatty acids Aryl fluorides Benzenoids Pyrroles Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Carboxylic acids Dialkyl ethers Monocarboxylic acids and derivatives Nitriles Organic oxides Carbonyl compounds Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indolyl carboxylic acid derivative - 3-alkylindole - Indole - Medium-chain fatty acid - Branched fatty acid - Halogenated fatty acid - Heterocyclic fatty acid - Methyl-branched fatty acid - Aryl fluoride - Aryl halide - Fatty acyl - Fatty acid - Benzenoid - Heteroaromatic compound - Pyrrole - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Oxacycle - Azacycle - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Cyanide - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen 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