Compound Identification
SMILES
[Na+].[O-]C(=O)CC1=CN(C(NCC2=CC(=CC=C2)C(F)(F)F)C2=CC=CC=C2)C2=CC=CC=C12
InChIKey
InChIKey=BMMFBZWBABRQQS-UHFFFAOYSA-M
Formula
C25H20F3N2NaO2
Mass
460.432
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
-
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 Substituted pyrroles Heteroaromatic compounds Amino acids Carboxylic acid salts Secondary amines Azacyclic compounds Organic metal halides Monocarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Organic oxides Carbonyl compounds Organic sodium salts Organic zwitterions Alkyl fluorides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indole-3-acetic acid derivative - Trifluoromethylbenzene - N-alkylindole - 3-alkylindole - Indole - Monocyclic benzene moiety - Substituted pyrrole - Benzenoid - Heteroaromatic compound - Pyrrole - Amino acid or derivatives - Carboxylic acid salt - Amino acid - Carboxylic acid derivative - Organic metal halide - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Secondary amine - Organic alkali metal salt - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Amine - Alkyl halide - Alkyl fluoride - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic sodium salt - Organic zwitterion - Organic salt - 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