Compound Identification
SMILES
CCCOC1=CC=C(C=C1)C(=O)CC[NH2+]C(C)C([O-])=O
InChIKey
InChIKey=RXYRBXIZCOSPDH-UHFFFAOYSA-N
Formula
C15H21NO4
Mass
279.336
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Aryl ketones
-
Level 7
Phenylketones
- Level 8 Alkyl-phenylketones
-
Level 7
Phenylketones
-
Level 6
Aryl ketones
-
Level 5
Ketones
-
Subclass
Carbonyl compounds
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Ketones - Aryl ketones - Phenylketones
Direct Parent
Alkyl-phenylketones
Alternative Parents
Alanine and derivatives Alpha amino acids Phenoxy compounds Phenol ethers Aryl alkyl ketones Benzoyl derivatives Alkyl aryl ethers Beta-amino ketones Quaternary ammonium salts Carboxylic acid salts Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Organic zwitterions Hydrocarbon derivatives Organic salts Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - Alanine or derivatives - Alpha-amino acid - Alpha-amino acid or derivatives - Phenoxy compound - Benzoyl - Phenol ether - Aryl alkyl ketone - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Beta-aminoketone - Quaternary ammonium salt - Carboxylic acid salt - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Secondary aliphatic amine - Ether - Organonitrogen compound - Organic nitrogen compound - Organic zwitterion - Organic oxide - Hydrocarbon derivative - Organic salt - Amine - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
External Descriptors
Not available