Compound Identification
SMILES
CN1C(=CC(=O)COC(=O)C2=CC=CC=C2Cl)C(C)(C)C2=CC=CC=C12
InChIKey
InChIKey=FIAWPFFOVRCRIE-UHFFFAOYSA-N
Formula
C21H20ClNO3
Mass
369.85
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acid esters
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Subclass
Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzoic acid esters
Alternative Parents
2-halobenzoic acids and derivatives Indoles and derivatives Tertiary alkylarylamines Benzoyl derivatives Chlorobenzenes Aryl chlorides Vinylogous halides Vinylogous amides Acryloyl compounds Enones Ketones Amino acids and derivatives Carboxylic acid esters Enamines Azacyclic compounds Hydrocarbon derivatives Organochlorides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoate ester - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Indole or derivatives - Benzoyl - Tertiary aliphatic/aromatic amine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Acryloyl-group - Vinylogous amide - Vinylogous halide - Enone - Amino acid or derivatives - Carboxylic acid ester - Tertiary amine - Ketone - Enamine - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organohalogen compound - Organochloride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
External Descriptors
Not available