Compound Identification
SMILES
COC1=C(C)C=C2C(NC=C2C#N)=C1C\C=C(/C)CCC(O)=O
InChIKey
InChIKey=YLZGXLKYSQTYEX-NYYWCZLTSA-N
Formula
C18H20N2O3
Mass
312.369
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Indoles and derivatives
- Subclass Indoles
-
Class
Indoles and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Indoles and derivatives
Subclass
Indoles
Intermediate Tree Nodes
Not available
Direct Parent
Indoles
Alternative Parents
Medium-chain fatty acids Anisoles Alkyl aryl ethers Methyl-branched fatty acids Amino fatty acids Heterocyclic fatty acids Unsaturated fatty acids Substituted pyrroles Heteroaromatic compounds Nitriles Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indole - Anisole - Phenol ether - Medium-chain fatty acid - Alkyl aryl ether - Amino fatty acid - Branched fatty acid - Heterocyclic fatty acid - Methyl-branched fatty acid - Substituted pyrrole - Unsaturated fatty acid - Fatty acyl - Fatty acid - Benzenoid - Pyrrole - Heteroaromatic compound - Azacycle - Carboxylic acid derivative - Carboxylic acid - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Ether - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Cyanide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.
External Descriptors
Not available