Compound Identification
SMILES
CC1(C)CCC(=O)C2=C1C=CC(=C2)C#CC1=C(C=CC=N1)C([O-])=O
InChIKey
InChIKey=ISYAQCHFEMFXJV-UHFFFAOYSA-M
Formula
C20H16NO3
Mass
318.353
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
Pyridinecarboxylic acids Aryl alkyl ketones Heteroaromatic compounds Carboxylic acid salts Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Tetralin - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Aryl alkyl ketone - Aryl ketone - Pyridine - Heteroaromatic compound - Carboxylic acid salt - Ketone - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organoheterocyclic compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic anion - 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