Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=C(NC2=C(O)C=C3N(C[C@@H](CCl)C3=C12)C(=O)\C=C\C1=CC(OC)=C(\C=C\C(=O)N2C[C@@H](CCl)C3=C4C(NC(=C4C(=O)OC)C(F)(F)F)=C(O)C=C23)C=C1OC)C(F)(F)F

InChIKey

InChIKey=WABDQVZHUZCQCG-MJWVAZLDSA-N

Formula

C42H34Cl2F6N4O10

Mass

939.64

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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

Cinnamic acid or derivatives - Indolecarboxylic acid derivative - Pyrroloindole - Hydroxyindole - P-dimethoxybenzene - Dimethoxybenzene - Indole - Anisole - Phenoxy compound - Phenol ether - Pyrrole-3-carboxylic acid or derivatives - Methoxybenzene - Styrene - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Substituted pyrrole - Benzenoid - Monocyclic benzene moiety - Vinylogous amide - Pyrrole - Heteroaromatic compound - Methyl ester - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Ether - Alkyl fluoride - Organic oxygen compound - Organic oxide - Alkyl chloride - Organohalogen compound - Organochloride - Organofluoride - Carbonyl group - Organonitrogen compound - Organic nitrogen compound - Alkyl halide - Organooxygen compound - Hydrocarbon derivative - 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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