Compound Identification
SMILES
C[C@@H](C(O)=O)C1=C(NC2=C1C=C(Cl)C=C2)C(=O)C1=NC=CC(=C1)C(C)(C)C
InChIKey
InChIKey=IYXFQXJZNOBTEM-LLVKDONJSA-N
Formula
C21H21ClN2O3
Mass
384.86
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Indoles and derivatives
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Subclass
Indolyl carboxylic acids and derivatives
- Level 5 Indole-3-acetic acid derivatives
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Subclass
Indolyl carboxylic acids and derivatives
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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
Indole-3-acetic acid derivatives
Alternative Parents
Indolecarboxylic acids and derivatives 3-alkylindoles Pyridinecarboxylic acids and derivatives Aryl ketones Substituted pyrroles Benzenoids Aryl chlorides Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indole-3-acetic acid derivative - Indolecarboxylic acid derivative - 3-alkylindole - Indole - Pyridine carboxylic acid or derivatives - Aryl ketone - Aryl chloride - Benzenoid - Substituted pyrrole - Pyridine - Aryl halide - Heteroaromatic compound - Pyrrole - Ketone - Azacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organooxygen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as indole-3-acetic acid derivatives. These are compounds containing an acetic acid (or a derivative) linked to the C3 carbon atom of an indole.
External Descriptors
Not available