Compound Identification
SMILES
COC1=CC2=C(C=C1)N(CC(=O)C1=CC=C(C)C=C1)C(C)=C2CC(O)=O
InChIKey
InChIKey=PZBBUEAPAIYTBN-UHFFFAOYSA-N
Formula
C21H21NO4
Mass
351.402
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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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
Alkyl-phenylketones 3-alkylindoles N-alkylindoles Anisoles Aryl alkyl ketones Benzoyl derivatives Toluenes Alkyl aryl ethers Substituted pyrroles Heteroaromatic compounds Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indole-3-acetic acid derivative - Alkyl-phenylketone - 3-alkylindole - N-alkylindole - Phenylketone - Indole - Anisole - Aryl alkyl ketone - Aryl ketone - Benzoyl - Alkyl aryl ether - Toluene - Benzenoid - Substituted pyrrole - Monocyclic benzene moiety - Pyrrole - Heteroaromatic compound - Ketone - Carboxylic acid derivative - Carboxylic acid - Ether - Azacycle - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organic oxide - 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