Compound Identification
SMILES
CC(C)(C)C1=CC(=CC(=C1)C(CC(O)=O)CC1=NC(CCCC2=NC3=C(CCCN3)C=C2)=NO1)C(O)(C(F)(F)F)C(F)(F)F
InChIKey
InChIKey=UKTOUMNCJBZSHR-UHFFFAOYSA-N
Formula
C30H34F6N4O4
Mass
628.616
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
Naphthyridines Phenylpropanes Pyridines and derivatives Imidolactams Tertiary alcohols 1,2,4-oxadiazoles Heteroaromatic compounds Fluorohydrins Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Carbonyl compounds Organic oxides Aromatic alcohols Amines Alkyl fluorides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-phenylpropanoic-acid - Naphthyridine - Phenylpropane - Monocyclic benzene moiety - Pyridine - Benzenoid - Imidolactam - Tertiary alcohol - 1,2,4-oxadiazole - Azole - Oxadiazole - Heteroaromatic compound - Fluorohydrin - Halohydrin - Organoheterocyclic compound - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Oxacycle - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic alcohol - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Amine - Alkyl halide - Alkyl fluoride - Alcohol - 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