Compound Identification
SMILES
COC(=O)C1=CC=C(CN(CC=C)CC(O)(CN2C=NC=N2)C2=C(F)C=C(F)C=C2)C=C1
InChIKey
InChIKey=OKFCXJQKVWKHNU-UHFFFAOYSA-N
Formula
C23H24F2N4O3
Mass
442.467
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 Phenylmethylamines Benzylamines Aralkylamines Fluorobenzenes Aryl fluorides Triazoles Tertiary alcohols Heteroaromatic compounds Methyl esters Amino acids and derivatives Trialkylamines 1,2-aminoalcohols Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Aromatic alcohols
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoate ester - Benzoyl - Benzylamine - Phenylmethylamine - Fluorobenzene - Aralkylamine - Halobenzene - Aryl fluoride - Aryl halide - Azole - Heteroaromatic compound - Methyl ester - Tertiary alcohol - 1,2,4-triazole - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - 1,2-aminoalcohol - Carboxylic acid ester - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Aromatic alcohol - Organohalogen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organofluoride - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Amine - 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