Compound Identification
SMILES
CN1C=C([C@@H](N2CCN(CCC#N)CC2)C(O)=O)C2=C1C=C(C=C2)C(O)=O
InChIKey
InChIKey=ONECCGBTIMXEGL-QGZVFWFLSA-N
Formula
C19H22N4O4
Mass
370.409
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
Indolecarboxylic acids 3-alkylindoles D-alpha-amino acids N-alkylindoles Aralkylamines N-alkylpiperazines Benzenoids N-methylpyrroles Heteroaromatic compounds Trialkylamines Amino acids Nitriles Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indole-3-acetic acid derivative - Indolecarboxylic acid - Indolecarboxylic acid derivative - Alpha-amino acid - Alpha-amino acid or derivatives - N-alkylindole - D-alpha-amino acid - 3-alkylindole - Indole - N-alkylpiperazine - Aralkylamine - 1,4-diazinane - N-methylpyrrole - Piperazine - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Amino acid - Azacycle - Carboxylic acid derivative - Carboxylic acid - Nitrile - Monocarboxylic acid or derivatives - Carbonitrile - Cyanide - Organic nitrogen compound - Amine - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organic oxygen compound - Carbonyl group - 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