Compound Identification
SMILES
CC(O)=O.COC(=O)C1=CC2=C(C=C1)N(CCCN)C=C2C1=NC2=C(NC1=O)C=C(C=C2)C1=CC=CC=C1
InChIKey
InChIKey=KKETWAAYQKBOMC-UHFFFAOYSA-N
Formula
C29H28N4O5
Mass
512.566
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Indoles and derivatives
-
Subclass
Indolecarboxylic acids and derivatives
- Level 5 Indolecarboxylic acids
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Subclass
Indolecarboxylic acids and derivatives
-
Class
Indoles and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Indoles and derivatives
Subclass
Indolecarboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Indolecarboxylic acids
Alternative Parents
Quinoxalines N-alkylindoles Indoles Substituted pyrroles Pyrazines Benzene and substituted derivatives Heteroaromatic compounds Methyl esters Amino acids and derivatives Lactams Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Monoalkylamines
Molecular Framework
Not available
Substituents
Indolecarboxylic acid - Diazanaphthalene - N-alkylindole - Quinoxaline - Indole - Monocyclic benzene moiety - Benzenoid - Substituted pyrrole - Pyrazine - Heteroaromatic compound - Methyl ester - Pyrrole - Amino acid or derivatives - Carboxylic acid ester - Lactam - Carboxylic acid derivative - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Primary amine - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Amine - Carbonyl group - Primary aliphatic amine - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as indolecarboxylic acids. These are compounds containing a carboxylic acid group linked to an indole.
External Descriptors
Not available