Compound Identification
SMILES
COC(=O)CC1(C2CCCN2C2(C#N)C3=CC=CC=C3CCC12Br)C(=O)OC
InChIKey
InChIKey=SCRRUMWCLSMWJT-UHFFFAOYSA-N
Formula
C21H23BrN2O4
Mass
447.329
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
Indoles and derivatives Pyrrolizidines Pyrrolidine carboxylic acids Aralkylamines Fatty acid esters N-alkylpyrrolidines Dicarboxylic acids and derivatives Methyl esters Trialkylamines Alpha-aminonitriles Amino acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Alkyl bromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Tetralin - Indole or derivatives - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Pyrrolizidine - Fatty acid ester - Aralkylamine - Fatty acyl - Dicarboxylic acid or derivatives - N-alkylpyrrolidine - Pyrrolidine - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Alpha-aminonitrile - Tertiary amine - Tertiary aliphatic amine - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Carbonitrile - Nitrile - Organic oxide - Organohalogen compound - Organobromide - Organonitrogen compound - Organic nitrogen compound - Alkyl bromide - Alkyl halide - Organooxygen compound - Organic oxygen compound - Carbonyl group - Cyanide - Amine - Hydrocarbon derivative - Aromatic heteropolycyclic 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