Compound Identification
SMILES
COC(=O)CC1C(NC2=CC=CC=C12)C1=C(CC(=O)OC)C2=CC=CC=C2N1
InChIKey
InChIKey=SXRCIANNDWDFLB-UHFFFAOYSA-N
Formula
C22H22N2O4
Mass
378.428
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Indoles and derivatives
-
Subclass
Indolyl carboxylic acids and derivatives
- Level 5 Indole-3-acetic acid derivatives
-
Subclass
Indolyl carboxylic acids and derivatives
-
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
3-alkylindoles Indolines Secondary alkylarylamines Aralkylamines Substituted pyrroles Dicarboxylic acids and derivatives Benzenoids Methyl esters Heteroaromatic compounds Amino acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indole-3-acetic acid derivative - 3-alkylindole - Indole - Dihydroindole - Secondary aliphatic/aromatic amine - Aralkylamine - Dicarboxylic acid or derivatives - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Methyl ester - Carboxylic acid ester - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Secondary amine - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Amine - 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