Compound Identification
SMILES
CCOC(=O)C(C)NC1=C(Cl)C=C(F)C(=C1)C1=NC=C(N(C)C1=O)C(F)(F)F
InChIKey
InChIKey=FYEHCGXNZDZBNE-UHFFFAOYSA-N
Formula
C17H16ClF4N3O3
Mass
421.78
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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Subclass
Amino acids, peptides, and analogues
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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
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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
Alanine and derivatives Phenylalkylamines Aniline and substituted anilines Secondary alkylarylamines Fluorobenzenes Chlorobenzenes Pyrazines Aryl chlorides Aryl fluorides Heteroaromatic compounds Lactams Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Alkyl fluorides Organofluorides Organic oxides Organochlorides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid ester - Alanine or derivatives - Aniline or substituted anilines - Phenylalkylamine - Halobenzene - Fluorobenzene - Secondary aliphatic/aromatic amine - Chlorobenzene - Aryl chloride - Benzenoid - Pyrazine - Aryl fluoride - Monocyclic benzene moiety - Aryl halide - Heteroaromatic compound - Carboxylic acid ester - Lactam - Azacycle - Organoheterocyclic compound - Secondary amine - Monocarboxylic acid or derivatives - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Alkyl halide - Carbonyl group - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organofluoride - Amine - Organohalogen compound - Organochloride - Aromatic heteromonocyclic 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