Compound Identification
SMILES
CN1C=C([C@@H]([NH+]2CCN(CC2)C2=NC=CC=N2)C([O-])=O)C2=C1C=C(C=C2)C([O-])=O
InChIKey
InChIKey=SJCSWHWAQFMDQI-QGZVFWFLSA-M
Formula
C20H20N5O4
Mass
394.412
Taxonomic Classification
Taxonomy Tree
-
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
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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 N-arylpiperazines D-alpha-amino acids 3-alkylindoles N-alkylindoles Dialkylarylamines Aralkylamines Aminopyrimidines and derivatives N-alkylpiperazines Benzenoids N-methylpyrroles Heteroaromatic compounds Quaternary ammonium salts Amino acids Trialkylamines Carboxylic acid salts Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Organic salts Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indole-3-acetic acid derivative - N-arylpiperazine - Indolecarboxylic acid - Indolecarboxylic acid derivative - Alpha-amino acid - Alpha-amino acid or derivatives - N-alkylindole - 3-alkylindole - D-alpha-amino acid - Indole - Dialkylarylamine - Aminopyrimidine - N-alkylpiperazine - Aralkylamine - Substituted pyrrole - Benzenoid - N-methylpyrrole - 1,4-diazinane - Piperazine - Pyrimidine - Heteroaromatic compound - Pyrrole - Quaternary ammonium salt - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Carboxylic acid salt - Amino acid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organooxygen compound - Organic oxygen compound - Amine - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organic salt - Organic cation - 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