Compound Identification
SMILES
CC(C)C1CCC(C)CC1OC(=O)C[N+]1=C2CCCN2C(=C1)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=KMYSTACCJFWPNY-UHFFFAOYSA-N
Formula
C24H32ClN2O2
Mass
415.98
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
-
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
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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
Phenylimidazoles Aromatic monoterpenoids Bicyclic monoterpenoids Menthane monoterpenoids Chlorobenzenes Aryl chlorides N-substituted imidazoles Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Monocarboxylic acids and derivatives Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - 5-phenylimidazole - 4-phenylimidazole - Aromatic monoterpenoid - Monoterpenoid - Bicyclic monoterpenoid - P-menthane monoterpenoid - Halobenzene - Chlorobenzene - Monocyclic benzene moiety - Aryl halide - N-substituted imidazole - Aryl chloride - Benzenoid - Heteroaromatic compound - Imidazole - Azole - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Organochloride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic cation - 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