Compound Identification
SMILES
COC1=CC=C(CN[C@@H](CC(=O)C2=CC=C(Cl)C=C2)C(O)=O)C=C1
InChIKey
InChIKey=ZWZVZHFZJWPMDD-INIZCTEOSA-N
Formula
C18H18ClNO4
Mass
347.8
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
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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
Butyrophenones L-alpha-amino acids Phenylmethylamines Phenoxy compounds Anisoles Aryl alkyl ketones Benzoyl derivatives Benzylamines Methoxybenzenes Gamma-keto acids and derivatives Alkyl aryl ethers Aralkylamines Chlorobenzenes Beta-amino ketones Aryl chlorides Amino acids Monocarboxylic acids and derivatives Carboxylic acids Dialkylamines Hydrocarbon derivatives Organic oxides Organochlorides Organopnictogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - Butyrophenone - Alpha-amino acid - Alpha-amino acid or derivatives - L-alpha-amino acid - Phenoxy compound - Anisole - Benzoyl - Benzylamine - Gamma-keto acid - Phenol ether - Phenylmethylamine - Aryl alkyl ketone - Methoxybenzene - Aralkylamine - Halobenzene - Alkyl aryl ether - Chlorobenzene - Aryl halide - Aryl chloride - Benzenoid - Monocyclic benzene moiety - Keto acid - Beta-aminoketone - Amino acid - Amino acid or derivatives - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Secondary amine - Carboxylic acid - Secondary aliphatic amine - Organopnictogen compound - Amine - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Organic nitrogen compound - Organic oxide - 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