Compound Identification
SMILES
Cl.CCNCC#CC(C)(C)OC(=O)[C@@](O)(C1CCCCC1)C1=CC=CC=C1
InChIKey
InChIKey=AEPBOUHKRSABGU-FTBISJDPSA-N
Formula
C22H32ClNO3
Mass
393.95
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzene and substituted derivatives
Alternative Parents
Ynones Tertiary alcohols Carboxylic acid esters Amino acids and derivatives Monocarboxylic acids and derivatives Dialkylamines Organic oxides Hydrochlorides Hydrocarbon derivatives Aromatic alcohols
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Monocyclic benzene moiety - Ynone - Tertiary alcohol - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Secondary amine - Alcohol - Organooxygen compound - Organonitrogen compound - Aromatic alcohol - Hydrochloride - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
External Descriptors
Not available