Compound Identification
SMILES
COC1=C(OC)C=C(CCN2CC(CC2=O)C(=O)OC2=C(Cl)C=C(F)C=C2)C=C1
InChIKey
InChIKey=CYENKSBHHFXPSM-UHFFFAOYSA-N
Formula
C21H21ClFNO5
Mass
421.85
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
- Class Phenol esters
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenol esters
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Phenol esters
Alternative Parents
Dimethoxybenzenes Pyrrolidine carboxylic acids Phenoxy compounds Oxoprolines Anisoles Chlorobenzenes Alkyl aryl ethers Fluorobenzenes Pyrrolidine-2-ones Aryl chlorides N-alkylpyrrolidines Aryl fluorides Tertiary carboxylic acid amides Lactams Carboxylic acid esters Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenol ester - Dimethoxybenzene - O-dimethoxybenzene - Oxoproline - Phenol ether - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Phenoxy compound - Anisole - Methoxybenzene - Halobenzene - Alkyl aryl ether - Fluorobenzene - Chlorobenzene - N-alkylpyrrolidine - 2-pyrrolidone - Pyrrolidone - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Aryl chloride - Tertiary carboxylic acid amide - Pyrrolidine - Carboxamide group - Carboxylic acid ester - Lactam - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenol esters. These are aromatic compounds containing a benzene ring substituted by a hydroxyl group and an ester group.
External Descriptors
Not available