Compound Identification
SMILES
Cl.CCOC(=O)CCC1=CC2=C(CC[C@@H](C2)NC[C@H](O)C2=CC(Cl)=CC=C2)C=C1
InChIKey
InChIKey=PWRYMMTWSPKRJD-VROPFNGYSA-N
Formula
C23H29Cl2NO3
Mass
438.39
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
- Class Tetralins
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Tetralins
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Tetralins
Alternative Parents
Aralkylamines Fatty acid esters Chlorobenzenes Aryl chlorides Secondary alcohols 1,2-aminoalcohols Amino acids and derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Dialkylamines Carbonyl compounds Hydrochlorides Aromatic alcohols Organochlorides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Tetralin - Chlorobenzene - Fatty acid ester - Halobenzene - Aralkylamine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Fatty acyl - Secondary alcohol - Amino acid or derivatives - 1,2-aminoalcohol - Carboxylic acid ester - Secondary amine - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Secondary aliphatic amine - Organooxygen compound - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Organohalogen compound - Organochloride - Carbonyl group - Amine - Alcohol - Organonitrogen compound - Hydrocarbon derivative - Aromatic alcohol - Hydrochloride - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane.
External Descriptors
Not available