Compound Identification
SMILES
CO\N=C(/C1=CC=CC=C1)C1=CC2=C(C=C1)N(CCOC1=CC=C(CC(OCC(F)(F)F)C(O)=O)C=C1)C(=O)CS2
InChIKey
InChIKey=UZNXECWYEOZBCR-MUGXBBEHSA-N
Formula
C29H27F3N2O6S
Mass
588.6
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
Benzothiazines Phenoxy compounds Phenol ethers Alkyl aryl ethers Alkylarylthioethers 1,4-thiazines Tertiary carboxylic acid amides Lactams Monocarboxylic acids and derivatives Azacyclic compounds Dialkyl ethers Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Alkyl fluorides Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-phenylpropanoic-acid - Benzothiazine - Phenoxy compound - Aryl thioether - Phenol ether - Alkyl aryl ether - Alkylarylthioether - Para-thiazine - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Carboxamide group - Lactam - Azacycle - Thioether - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Dialkyl ether - Ether - Organooxygen compound - Organic oxygen compound - Organohalogen compound - Organofluoride - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Alkyl halide - Alkyl fluoride - Organonitrogen compound - 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