Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=C(C)NC2=C1C1CCN(C(=O)\C=C\C3=CC=C(OC)C=C3)C1=CC2C(=O)ON1CCN(C)CC1

InChIKey

InChIKey=XTEGZEUEYAFZGC-JXMROGBWSA-N

Formula

C29H34N4O6

Mass

534.613

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Indoles and derivatives

Subclass

Pyrroloindoles

Intermediate Tree Nodes

Not available

Direct Parent

Pyrroloindoles

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Pyrroloindole - Cinnamic acid or derivatives - Indole - Styrene - Pyrrole-3-carboxylic acid or derivatives - Phenol ether - N-acylpyrrolidine - Methoxybenzene - Phenoxy compound - Anisole - Alkyl aryl ether - N-methylpiperazine - N-alkylpiperazine - Benzenoid - Substituted pyrrole - Piperazine - 1,4-diazinane - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous amide - Methyl ester - Tertiary carboxylic acid amide - Pyrrole - Pyrrolidine - Tertiary amine - Tertiary aliphatic amine - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Ether - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Amine - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as pyrroloindoles. These are compounds containing a pyrroloindole moiety, which is a tricyclic heterocycle which consists of a pyrrole ring fused to an indole. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Indole is a bicyclic compound consisting of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring.

External Descriptors

Not available

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