Compound Identification
SMILES
[O-]C(=O)CCN1C=C([C@H]([NH+]2CCN(CC2)C2=CC=CC=[NH+]2)C([O-])=O)C2=C1C=C(F)C=C2
InChIKey
InChIKey=QYJDZFAFHOOBQT-NRFANRHFSA-N
Formula
C22H23FN4O4
Mass
426.448
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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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
Pyridinylpiperazines N-arylpiperazines L-alpha-amino acids N-alkylindoles 3-alkylindoles Dialkylarylamines N-alkylpiperazines Aralkylamines Aminopyridines and derivatives Pyridinium derivatives Benzenoids Substituted pyrroles Aryl fluorides Dicarboxylic acids and derivatives Quaternary ammonium salts Heteroaromatic compounds Trialkylamines Carboxylic acid salts Amino acids Carboxylic acids Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indole-3-acetic acid derivative - Pyridinylpiperazine - N-arylpiperazine - Alpha-amino acid - Alpha-amino acid or derivatives - 3-alkylindole - L-alpha-amino acid - N-alkylindole - Indole - Dialkylarylamine - Aralkylamine - N-alkylpiperazine - Aminopyridine - Pyridine - Pyridinium - Aryl fluoride - Piperazine - Dicarboxylic acid or derivatives - Benzenoid - Aryl halide - 1,4-diazinane - Substituted pyrrole - Heteroaromatic compound - Quaternary ammonium salt - Pyrrole - Tertiary amine - Tertiary aliphatic amine - Amino acid or derivatives - Amino acid - Carboxylic acid salt - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organooxygen compound - Amine - Organic zwitterion - Organic oxygen compound - Carbonyl group - Organic salt - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organofluoride - Organohalogen 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