Compound Identification
SMILES
CC1(C)OC2=C(C=C(C=C2)C#N)[C@H]([C@@H]1O)N1C=C(C(O)=O)C2=CC=CC=C12
InChIKey
InChIKey=XYSPJNRATCYLRB-MOPGFXCFSA-N
Formula
C21H18N2O4
Mass
362.385
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
Indolecarboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Indolecarboxylic acids and derivatives
Alternative Parents
2,2-dimethyl-1-benzopyrans N-alkylindoles Indoles Pyrrole carboxylic acids Alkyl aryl ethers Substituted pyrroles Benzenoids Heteroaromatic compounds Vinylogous amides Secondary alcohols Oxacyclic compounds Nitriles Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indolecarboxylic acid derivative - 2,2-dimethyl-1-benzopyran - Chromane - Benzopyran - N-alkylindole - 1-benzopyran - Indole - Pyrrole-3-carboxylic acid - Pyrrole-3-carboxylic acid or derivatives - Alkyl aryl ether - Substituted pyrrole - Benzenoid - Heteroaromatic compound - Pyrrole - Vinylogous amide - Secondary alcohol - Azacycle - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Nitrile - Carbonitrile - Ether - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Cyanide - Organic oxygen compound - Alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as indolecarboxylic acids and derivatives. These are compounds containing a carboxylic acid group (or a derivative thereof) linked to an indole.
External Descriptors
Not available