Compound Identification
SMILES
CC(C)=C(OC1=CC=C(C[N+](C)(C)CC([O-])=O)C=C1)C(F)(F)F
InChIKey
InChIKey=GZJOOEYRSQGJIR-UHFFFAOYSA-N
Formula
C16H20F3NO3
Mass
331.335
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
N-acyl-alpha amino acids and derivatives
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Level 8
N-acyl-alpha amino acids
- Level 9 N-benzylalanines
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Level 8
N-acyl-alpha amino acids
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Level 7
N-acyl-alpha amino acids and derivatives
-
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 - N-acyl-alpha amino acids and derivatives - N-acyl-alpha amino acids
Direct Parent
N-benzylalanines
Alternative Parents
Alpha amino acids Phenylmethylamines Phenoxy compounds Benzylamines Aralkylamines Tetraalkylammonium salts Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Alkyl fluorides Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic salts Organofluorides Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-benzylalanine - Alpha-amino acid - Phenoxy compound - Benzylamine - Phenylmethylamine - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Tetraalkylammonium salt - Quaternary ammonium salt - Carboxylic acid salt - Carboxylic acid - Monocarboxylic acid or derivatives - Alkyl fluoride - Alkyl halide - Organonitrogen compound - Organofluoride - Organohalogen compound - Organooxygen compound - Organic salt - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Amine - Organic nitrogen compound - Organic cation - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-benzylalanines. These are n-benzyl derivatives of alanine.
External Descriptors
Not available