Compound Identification
SMILES
[Na+].CN(C)CC1=CC=C(N\C(=C2/C(=O)NC3=C2C=CC(F)=C3)C2=CC=C(CCC([O-])=O)C=C2)C=C1
InChIKey
InChIKey=PPTZVYZYTDVIFS-OQKDUQJOSA-M
Formula
C27H25FN3NaO3
Mass
481.503
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
- Class Phenylpropanoic acids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Phenylpropanoic acids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpropanoic acids
Alternative Parents
Indolines Aniline and substituted anilines Benzylamines Phenylmethylamines Aralkylamines Aryl fluorides Vinylogous amides Trialkylamines Secondary carboxylic acid amides Amino acids Carboxylic acid salts Lactams Azacyclic compounds Organic metal halides Monocarboxylic acids and derivatives Carboxylic acids Enamines Organic zwitterions Carbonyl compounds Organic sodium salts Organic oxides Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-phenylpropanoic-acid - Indole or derivatives - Dihydroindole - Benzylamine - Phenylmethylamine - Aniline or substituted anilines - Aralkylamine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Vinylogous amide - Amino acid or derivatives - Carboxamide group - Carboxylic acid salt - Lactam - Amino acid - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Carboxylic acid - Enamine - Organic metal halide - Organic alkali metal salt - Monocarboxylic acid or derivatives - Organic oxygen compound - Carbonyl group - Organic zwitterion - Amine - Organic salt - Organic nitrogen compound - Hydrocarbon derivative - Organic sodium salt - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid.
External Descriptors
Not available