Compound Identification
SMILES
COC(=O)C1=CC2=C(C=C1)\C(=C(\NC1=CC(C#N)=C(C=C1)N(C)C(=O)CN(C)C)C1=CC=CC=C1)C(=O)N2
InChIKey
InChIKey=LITNYBZNPBBUDL-RQZHXJHFSA-N
Formula
C29H27N5O4
Mass
509.566
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
-
Class
Indoles and derivatives
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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
Alpha amino acids and derivatives Anilides Indolines Aniline and substituted anilines Benzonitriles Secondary alkylarylamines Methyl esters Vinylogous amides Tertiary carboxylic acid amides Lactams Secondary carboxylic acid amides Trialkylamines Nitriles Enamines Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indolecarboxylic acid - Alpha-amino acid or derivatives - Dihydroindole - Anilide - Benzonitrile - Aniline or substituted anilines - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Benzenoid - Vinylogous amide - Methyl ester - Tertiary carboxylic acid amide - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Amino acid or derivatives - Lactam - Carboxylic acid derivative - Azacycle - Enamine - Secondary amine - Carbonitrile - Nitrile - Amine - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Cyanide - Organic oxide - 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