Compound Identification
SMILES
CCOC(=O)C(O)CC(NC1=C(Br)C=C(Cl)C=C1)C1=CC=CC=C1
InChIKey
InChIKey=MWGWPCAUMJHDBJ-UHFFFAOYSA-N
Formula
C18H19BrClNO3
Mass
412.71
Taxonomic Classification
Taxonomy Tree
-
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
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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
Direct Parent
Gamma amino acids and derivatives
Alternative Parents
2-bromoanilines Phenylalkylamines Secondary alkylarylamines Bromobenzenes Chlorobenzenes Fatty acid esters Aryl chlorides Aryl bromides 1,3-aminoalcohols Carboxylic acid esters Secondary alcohols Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organic oxides Organobromides Organochlorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Gamma amino acid or derivatives - Phenylalkylamine - Aniline or substituted anilines - 2-bromoaniline - Bromobenzene - Chlorobenzene - Fatty acid ester - Halobenzene - Aralkylamine - Secondary aliphatic/aromatic amine - Aryl bromide - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Fatty acyl - Benzenoid - 1,3-aminoalcohol - Secondary alcohol - Carboxylic acid ester - Secondary amine - Monocarboxylic acid or derivatives - Organobromide - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Amine - Organochloride - Organonitrogen compound - Organooxygen compound - Organohalogen compound - Alcohol - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as gamma amino acids and derivatives. These are amino acids having a (-NH2) group attached to the gamma carbon atom.
External Descriptors
Not available