Compound Identification
SMILES
[O-]C(=O)[C@@H](N1CCOCC1)C1=CNC2=C1C=C(NC(=O)[C@H]1CC=CC[C@H]1C([O-])=O)C=C2
InChIKey
InChIKey=AISBDOYXQQYBGB-KHYOSLBOSA-L
Formula
C22H23N3O6
Mass
425.442
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
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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
L-alpha-amino acids 3-alkylindoles N-arylamides Aralkylamines Morpholines Benzenoids Dicarboxylic acids and derivatives Substituted pyrroles Heteroaromatic compounds Secondary carboxylic acid amides Amino acids Carboxylic acid salts Trialkylamines Oxacyclic compounds Azacyclic compounds Dialkyl ethers Carboxylic acids Organic oxides Carbonyl compounds Hydrocarbon derivatives Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indole-3-acetic acid derivative - Alpha-amino acid - Alpha-amino acid or derivatives - L-alpha-amino acid - 3-alkylindole - Indole - N-arylamide - Aralkylamine - Dicarboxylic acid or derivatives - Morpholine - Oxazinane - Substituted pyrrole - Benzenoid - Heteroaromatic compound - Pyrrole - Tertiary amine - Secondary carboxylic acid amide - Tertiary aliphatic amine - Amino acid or derivatives - Carboxamide group - Carboxylic acid salt - Amino acid - Azacycle - Oxacycle - Carboxylic acid derivative - Ether - Carboxylic acid - Dialkyl ether - Organic oxygen compound - Amine - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic anion - 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