Compound Identification
SMILES
COC1=C(OC)C=C2C(CC(O)=O)=C(NCC3=CC(=CC=C3)C(F)(F)F)N(CC3=CC=CC=C3)C2=C1
InChIKey
InChIKey=UJHSQJZLTPDGMH-UHFFFAOYSA-N
Formula
C27H25F3N2O4
Mass
498.502
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
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
Trifluoromethylbenzenes 3-alkylindoles N-alkylindoles Anisoles Benzylamines Alkyl aryl ethers Substituted pyrroles Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Amines Alkyl fluorides Organofluorides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indole-3-acetic acid derivative - Trifluoromethylbenzene - 3-alkylindole - N-alkylindole - Indole - Anisole - Phenol ether - Benzylamine - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Substituted pyrrole - Pyrrole - Heteroaromatic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Ether - Azacycle - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Alkyl halide - Alkyl fluoride - 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