Compound Identification
SMILES
CN(CC(=O)OCC1=CC=C(Cl)C=C1)C1=CC=C(C=C1)C(O)(C(F)(F)F)C(F)(F)F
InChIKey
InChIKey=WOFLMDYWVTUXMS-UHFFFAOYSA-N
Formula
C19H16ClF6NO3
Mass
455.78
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
Level 5
Amino acids and derivatives
-
Level 6
Alpha amino acids and derivatives
- Level 7 Alpha amino acid esters
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Level 6
Alpha amino acids and derivatives
-
Level 5
Amino acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
Class
Carboxylic acids and derivatives
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Amino acids, peptides, and analogues
Intermediate Tree Nodes
Amino acids and derivatives - Alpha amino acids and derivatives
Direct Parent
Alpha amino acid esters
Alternative Parents
Benzyloxycarbonyls Aniline and substituted anilines Dialkylarylamines Chlorobenzenes Aryl chlorides Tertiary alcohols Fluorohydrins Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Alkyl fluorides Carbonyl compounds Aromatic alcohols Organochlorides Organofluorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alpha-amino acid ester - Benzyloxycarbonyl - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Tertiary alcohol - Carboxylic acid ester - Tertiary amine - Fluorohydrin - Halohydrin - Monocarboxylic acid or derivatives - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Alkyl halide - Alkyl fluoride - Alcohol - Carbonyl group - Aromatic alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Organohalogen compound - Organochloride - Organofluoride - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
External Descriptors
Not available