Compound Identification
SMILES
COC(=O)C1=CC=C(C=C1)C1CC(OCCN(CCO)S(=O)(=O)C2=CC=C(OC)C=C2)OC(=C1)C(=O)NCC1=NC2=CC=CC=C2N1
InChIKey
InChIKey=HDQKKKMGTXNYSG-UHFFFAOYSA-N
Formula
C33H36N4O9S
Mass
664.73
Taxonomic Classification
Taxonomy Tree
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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
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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
Benzenesulfonamides Benzenesulfonyl compounds Benzimidazoles Phenoxy compounds Benzoyl derivatives Anisoles Methoxybenzenes Alkyl aryl ethers Organosulfonamides Methyl esters Imidazoles Aminosulfonyl compounds Heteroaromatic compounds Secondary carboxylic acid amides Monocarboxylic acids and derivatives Azacyclic compounds Acetals Alkanolamines Oxacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzenesulfonamide - Benzoate ester - Benzimidazole - Benzenesulfonyl group - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Methoxybenzene - Alkyl aryl ether - Organosulfonic acid amide - Heteroaromatic compound - Azole - Imidazole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Methyl ester - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Organoheterocyclic compound - Azacycle - Acetal - Oxacycle - Monocarboxylic acid or derivatives - Alkanolamine - Ether - Carboxylic acid derivative - Primary alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Alcohol - Organonitrogen compound - Organic oxide - Organooxygen compound - Organosulfur compound - Organopnictogen compound - Organic nitrogen 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