Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=CC2=C(C=C1)\C(=C(\NC1=CC=C(C=C1)N(C)C(=O)CN1CCN(C)CC1)C1=CC=CC=C1)C(=O)N2

InChIKey

InChIKey=XZXHXSATPCNXJR-ZIADKAODSA-N

Formula

C31H33N5O4

Mass

539.636

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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 - Alpha-amino acid or derivatives - N-piperazineacetamide - Dihydroindole - Anilide - Aniline or substituted anilines - Secondary aliphatic/aromatic amine - N-methylpiperazine - N-alkylpiperazine - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Benzenoid - Methyl ester - Tertiary carboxylic acid amide - Vinylogous amide - Tertiary aliphatic amine - Tertiary amine - Carboxamide group - Carboxylic acid ester - Lactam - Amino acid or derivatives - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Enamine - Azacycle - Carboxylic acid derivative - Secondary amine - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Amine - Organic oxide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - 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

CHEBI:85164 : methyl ester - aromatic amine - enamine - oxindole - aromatic ester - aromatic amide - N-alkylpiperazine

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