Compound Identification
SMILES
COC1=C2[C@H](Br)[C@@H](O)C[C@H]3CN(C(=O)C4=CC=CC=C4)C(C=C1)=C23
InChIKey
InChIKey=KHJKDQLNQJMPAO-XAYKYTGQSA-N
Formula
C19H18BrNO3
Mass
388.261
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
Tetralins Isoindoles and derivatives Benzamides Benzoyl derivatives Anisoles Alkyl aryl ethers Tertiary carboxylic acid amides Secondary alcohols Bromohydrins Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indolecarboxylic acid derivative - Tetralin - Benzamide - Benzoic acid or derivatives - Isoindole or derivatives - Anisole - Benzoyl - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Secondary alcohol - Bromohydrin - Carboxamide group - Halohydrin - Azacycle - Ether - Carboxylic acid derivative - Organonitrogen compound - Organic nitrogen compound - Organohalogen compound - Organobromide - Hydrocarbon derivative - Alcohol - Organic oxide - Organic oxygen compound - Alkyl halide - Alkyl bromide - Organooxygen compound - 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