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#N)=NC(C)(C)C)C=C1
InChIKey
InChIKey=BXEPBUPUNUBFBK-UHFFFAOYSA-N
Formula
C35H46N6O4
Mass
614.791
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
Benzoyl derivatives Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Nitriles Carboxamidines Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzoate ester - Benzoyl - Carboxylic acid ester - Amidine - Carboxylic acid amidine - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carbonitrile - Nitrile - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - 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