Compound Identification
SMILES
CN(CC1=CC=CC=C1)C(CC1=CN(C(=O)OC(C)(C)C)C2=C1C(Br)=CC=C2)C1OC(=O)C(C)=C1
InChIKey
InChIKey=MDKOPMSDPHOUAV-UHFFFAOYSA-N
Formula
C28H31BrN2O4
Mass
539.47
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
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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
3-alkylindoles Pyrrole carboxylic acids and derivatives Phenylmethylamines Benzylamines Aralkylamines Substituted pyrroles Aryl bromides Butenolides Heteroaromatic compounds Enoate esters Trialkylamines Amino acids and derivatives Lactones Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indolecarboxylic acid - 3-alkylindole - Indole - Phenylmethylamine - Pyrrole-1-carboxylic acid or derivatives - Benzylamine - Aralkylamine - 2-furanone - Benzenoid - Monocyclic benzene moiety - Aryl bromide - Aryl halide - Substituted pyrrole - Alpha,beta-unsaturated carboxylic ester - Heteroaromatic compound - Enoate ester - Dihydrofuran - Pyrrole - Lactone - Amino acid or derivatives - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - Oxacycle - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxygen 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