Compound Identification
SMILES
CC1=C(CC(O)=O)C2=C(C=CC(OC(=O)CCC(=O)OCC3=CC=CC=C3)=C2)N1C(CCCOC1=CC=CC=C1)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=KFRMTKIWDUPMHO-UHFFFAOYSA-N
Formula
C38H36ClNO7
Mass
654.16
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Indoles and derivatives
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Subclass
Indolyl carboxylic acids and derivatives
- Level 5 Indole-3-acetic acid derivatives
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Subclass
Indolyl carboxylic acids and derivatives
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Class
Indoles and derivatives
-
Superclass
Organoheterocyclic compounds
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
Phenol esters 3-alkylindoles N-alkylindoles Benzyloxycarbonyls Tricarboxylic acids and derivatives Phenoxy compounds Phenol ethers Alkyl aryl ethers Fatty acid esters Chlorobenzenes Substituted pyrroles Aryl chlorides Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indole-3-acetic acid derivative - N-alkylindole - Benzyloxycarbonyl - Phenol ester - 3-alkylindole - Indole - Tricarboxylic acid or derivatives - Phenoxy compound - Phenol ether - Alkyl aryl ether - Halobenzene - Fatty acid ester - Chlorobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Substituted pyrrole - Benzenoid - Fatty acyl - Heteroaromatic compound - Pyrrole - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Organic oxygen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Organochloride - Organohalogen compound - 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