Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

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

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

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