Compound Identification
SMILES
CC(C)OC(=O)C1=CC=C(CN(CC=C)CC(O)(CN2C=NC=N2)C2=C(F)C=C(F)C=C2)C=C1
InChIKey
InChIKey=BOQKBKUSRCKRCV-UHFFFAOYSA-N
Formula
C25H28F2N4O3
Mass
470.521
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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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
Benzoyl derivatives Benzylamines Phenylmethylamines Aralkylamines Fluorobenzenes Aryl fluorides Heteroaromatic compounds Tertiary alcohols Triazoles Carboxylic acid esters Trialkylamines 1,2-aminoalcohols Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organofluorides Aromatic alcohols Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoate ester - Benzylamine - Benzoyl - Phenylmethylamine - Fluorobenzene - Halobenzene - Aralkylamine - Aryl fluoride - Aryl halide - Heteroaromatic compound - Azole - 1,2,4-triazole - Tertiary alcohol - Carboxylic acid ester - 1,2-aminoalcohol - Amino acid or derivatives - Tertiary amine - Tertiary aliphatic amine - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Alcohol - Aromatic heteromonocyclic 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