Compound Identification
SMILES
CCOC(=O)CC\C=C/C[C@@H]1CO[C@@H](O[C@@H]1C1=CC=CC=C1O)C1=CC=C(OCCOC2=C(OCCN3C=CN=C3)C=CC(=C2)C(=O)OCC)C=C1
InChIKey
InChIKey=ITFBILFJDPWKNB-KUTPCMQBSA-N
Formula
C40H46N2O10
Mass
714.812
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
Phenoxy compounds Phenol ethers Imidazolyl carboxylic acids and derivatives Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Fatty acid esters 1,3-dioxanes N-substituted imidazoles Dicarboxylic acids and derivatives Heteroaromatic compounds Carboxylic acid esters Oxacyclic compounds Acetals Azacyclic compounds Organic oxides Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoate ester - Imidazolyl carboxylic acid derivative - Phenoxy compound - Phenol ether - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Fatty acid ester - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Dicarboxylic acid or derivatives - Fatty acyl - N-substituted imidazole - Meta-dioxane - Imidazole - Heteroaromatic compound - Azole - Carboxylic acid ester - Acetal - Carboxylic acid derivative - Oxacycle - Azacycle - Ether - Organoheterocyclic compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Organic oxide - Organooxygen compound - Organonitrogen compound - 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