Compound Identification
SMILES
CC(C)(C)OC(=O)N1C=C(C[C@@]2(C)N=C(C3=CC=CC=C3)C3=C(NC2=O)C=CC(Cl)=C3)C2=CC=CC=C12
InChIKey
InChIKey=QZMMFBBTUHDKJF-SSEXGKCCSA-N
Formula
C30H28ClN3O3
Mass
514.02
Taxonomic Classification
Taxonomy Tree
-
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
1,4-benzodiazepines 3-alkylindoles Alpha amino acids and derivatives Pyrrole carboxylic acids and derivatives Substituted pyrroles Aryl chlorides Benzene and substituted derivatives Heteroaromatic compounds Secondary carboxylic acid amides Lactams Ketimines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indolecarboxylic acid - Benzodiazepine - 1,4-benzodiazepine - Alpha-amino acid or derivatives - 3-alkylindole - Indole - Pyrrole-1-carboxylic acid or derivatives - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Carboxamide group - Lactam - Ketimine - Secondary carboxylic acid amide - Azacycle - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Organic oxide - Imine - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen 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