Compound Identification
SMILES
CCOC(=O)C1=CC=C(NC(CCC(CCC(NC2=CC=C(C=C2)C(=O)OCC)=NC(C)(C)C)(C#N)C(=O)OCC)=NC(C)(C)C)C=C1
InChIKey
InChIKey=BWCSBXMOVPBOPE-UHFFFAOYSA-N
Formula
C37H51N5O6
Mass
661.844
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
-
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 Fatty acid esters Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Nitriles Monocarboxylic acids and derivatives Carboxamidines Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzoate ester - Benzoyl - Fatty acid ester - Fatty acyl - Carboxylic acid ester - Amidine - Carboxylic acid amidine - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxide - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - Aromatic homomonocyclic 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