Compound Identification
SMILES
COC(=O)C1=CC(=CC=C1)N1C(=O)N(C2CCC(N)CC2)C(=O)C2=CC(F)=CN=C12
InChIKey
InChIKey=ZIJPYMGHBOQCER-UHFFFAOYSA-N
Formula
C21H21FN4O4
Mass
412.421
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acid esters
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Subclass
Benzoic acids and derivatives
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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
Pyrido[2,3-d]pyrimidines Benzoyl derivatives Cyclohexylamines Pyrimidones Aryl fluorides Pyridines and derivatives Methyl esters Heteroaromatic compounds Vinylogous amides Lactams Ureas Amino acids and derivatives Azacyclic compounds Organofluorides Organic oxides Monoalkylamines Hydrocarbon derivatives Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyridopyrimidine - Pyrido[2,3-d]pyrimidine - Benzoate ester - Benzoyl - Cyclohexylamine - Pyrimidone - Pyridine - Aryl fluoride - Pyrimidine - Aryl halide - Methyl ester - Vinylogous amide - Heteroaromatic compound - Urea - Amino acid or derivatives - Lactam - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Primary aliphatic amine - Organooxygen compound - Primary amine - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - 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