Compound Identification
SMILES
FC(F)(F)C(OC(=O)[C@H]1CNCCN1CC1=C(Cl)C=C(C=C1)N1CCCC1)C(F)(F)F
InChIKey
InChIKey=SSMSZLINWOUMLK-OAHLLOKOSA-N
Formula
C19H22ClF6N3O2
Mass
473.84
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
Phenylpyrrolidines Piperazine carboxylic acids Phenylmethylamines Aniline and substituted anilines Dialkylarylamines Benzylamines Aralkylamines N-alkylpiperazines Chlorobenzenes Aryl chlorides Pyrroles Trialkylamines Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Dialkylamines Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid ester - 1-phenylpyrrolidine - Piperazine-2-carboxylic acid - Benzylamine - Phenylmethylamine - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Chlorobenzene - Halobenzene - Aralkylamine - N-alkylpiperazine - Benzenoid - Piperazine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Pyrrolidine - Pyrrole - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid ester - Organoheterocyclic compound - Secondary amine - Azacycle - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Organonitrogen compound - Organic nitrogen compound - Alkyl fluoride - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Amine - Alkyl halide - Organohalogen compound - Organochloride - Organofluoride - 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