Compound Identification
SMILES
CC1=CC(=CC(C)=C1)N(CCC#N)C(=O)COC(=O)CC1=CNC2=CC=CC=C12
InChIKey
InChIKey=ORJAOSNZRKIGGA-UHFFFAOYSA-N
Formula
C23H23N3O3
Mass
389.455
Taxonomic Classification
Taxonomy Tree
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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
-
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
3-alkylindoles Anilides m-Xylenes Substituted pyrroles Tertiary carboxylic acid amides Heteroaromatic compounds Carboxylic acid esters Nitriles Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indole-3-acetic acid derivative - 3-alkylindole - Indole - Anilide - M-xylene - Xylene - Monocyclic benzene moiety - Substituted pyrrole - Benzenoid - Heteroaromatic compound - Tertiary carboxylic acid amide - Pyrrole - Carboxamide group - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Cyanide - Carbonyl group - Organic oxide - Organonitrogen compound - Organooxygen 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