Compound Identification
SMILES
[Cl-].COC1=NC=C(C=C1)C(NC1=CC(F)=CC=C1)C(=O)O[C@H]1C[N+]2(CC(=O)C3=CC=CC=C3)CCC1CC2
InChIKey
InChIKey=BCVJZULKKVHUBR-NLSYHISUSA-M
Formula
C29H31ClFN3O4
Mass
540.03
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
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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
Alkyl-phenylketones Benzoyl derivatives Quinuclidines Aryl alkyl ketones Phenylalkylamines Aniline and substituted anilines Secondary alkylarylamines Fluorobenzenes Alkyl aryl ethers Aryl fluorides Pyridines and derivatives Piperidines Heteroaromatic compounds Tetraalkylammonium salts Alpha-amino ketones Carboxylic acid esters Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic chloride salts Organic oxides Organic zwitterions Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Alkyl-phenylketone - Phenylketone - Quinuclidine - Aryl ketone - Aryl alkyl ketone - Aniline or substituted anilines - Benzoyl - Phenylalkylamine - Secondary aliphatic/aromatic amine - Alkyl aryl ether - Aralkylamine - Fluorobenzene - Halobenzene - Pyridine - Piperidine - Benzenoid - Monocyclic benzene moiety - Aryl fluoride - Aryl halide - Alpha-aminoketone - Tetraalkylammonium salt - Heteroaromatic compound - Quaternary ammonium salt - Carboxylic acid ester - Ketone - Secondary amine - Organoheterocyclic compound - Ether - Azacycle - Monocarboxylic acid or derivatives - Organic chloride salt - Organic salt - Amine - Organic zwitterion - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organooxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic heteropolycyclic 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