Compound Identification
SMILES
Br.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=NPOZRQZSJLWKRB-OQKDUQJOSA-N
Formula
C27H27BrFN3O3
Mass
540.433
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 Phenylmethylamines Aniline and substituted anilines Benzylamines Aralkylamines Aryl fluorides Vinylogous amides Trialkylamines Secondary carboxylic acid amides Amino acids Lactams Monocarboxylic acids and derivatives Enamines Carboxylic acids Azacyclic compounds Carbonyl compounds Hydrobromides Hydrocarbon derivatives Organic oxides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-phenylpropanoic-acid - Dihydroindole - Indole or derivatives - Phenylmethylamine - Aniline or substituted anilines - Benzylamine - Aralkylamine - Aryl halide - Benzenoid - Aryl fluoride - Monocyclic benzene moiety - Vinylogous amide - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Lactam - Amino acid - Azacycle - Carboxylic acid derivative - Carboxylic acid - Enamine - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic nitrogen compound - Hydrobromide - Carbonyl group - Amine - Organic oxide - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organofluoride - 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