Compound Identification
SMILES
CCCCOC(=O)N[C@@H](CNC(=O)C1=CC=C(CN(CC2=NC3=CC=CC=C3N2)C(=O)NC2=CC=C(C=C2)C(=O)OCC)C=C1)C(O)=O
InChIKey
InChIKey=PVGXQPOUTLQDBF-NDEPHWFRSA-N
Formula
C34H38N6O8
Mass
658.712
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
Alpha amino acids and derivatives N-phenylureas Benzamides Benzimidazoles Benzoyl derivatives Imidazoles Heteroaromatic compounds Carbamate esters Carboxylic acid esters Ureas Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organonitrogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Benzoate ester - N-phenylurea - Benzamide - Benzimidazole - Benzoyl - Azole - Heteroaromatic compound - Imidazole - Carbamic acid ester - Urea - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Organic oxygen 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