Structure Information
Structure

Compound Identification

SMILES

COC1=CC2=C(NC(C)=C2[C@@H]([C@H](C)CN2CCN(CCCO)CC2)C(=O)OC(=O)C2=CC=C(Cl)C=C2)C=C1

InChIKey

InChIKey=HEMDVXNNVZNXSS-NIYFSFCBSA-N

Formula

C29H36ClN3O5

Mass

542.07

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Indoles and derivatives

Subclass

Indolyl carboxylic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Indole-3-acetic acid derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Indole-3-acetic acid derivative - Triptan - Benzyloxycarbonyl - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 3-alkylindole - Benzoic acid or derivatives - Indole - Anisole - Benzoyl - Phenol ether - N-alkylpiperazine - Aralkylamine - Alkyl aryl ether - Chlorobenzene - Halobenzene - Benzenoid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Substituted pyrrole - Piperazine - Pyrrole - 1,3-aminoalcohol - Carboxylic acid anhydride - Heteroaromatic compound - Amino acid or derivatives - Tertiary amine - Tertiary aliphatic amine - Monocarboxylic acid or derivatives - Alkanolamine - Ether - Azacycle - Carboxylic acid derivative - Organohalogen compound - Alcohol - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Amine - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as indole-3-acetic acid derivatives. These are compounds containing an acetic acid (or a derivative) linked to the C3 carbon atom of an indole.

External Descriptors

Not available

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