Compound Identification
SMILES
CC1=C2C(=NN1)C(OCC1=CC=CC=C1)=CC1=C2C(CCl)CN1C(=O)OC(C)(C)C
InChIKey
InChIKey=VDOSZOFWWAMBCI-UHFFFAOYSA-N
Formula
C23H26ClN3O3
Mass
427.93
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
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
Indazoles Phenol ethers Alkyl aryl ethers Benzene and substituted derivatives Pyrazoles Heteroaromatic compounds Carbamate esters Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indolecarboxylic acid - Benzopyrazole - Indazole - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Carbamic acid ester - Pyrazole - Heteroaromatic compound - Azole - Azacycle - Ether - Organooxygen compound - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organochloride - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Alkyl halide - Alkyl chloride - 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