Compound Identification
SMILES
CN[C@@H](C)C\C=C\C1=CC(OC(C)C)=CN=C1.CC1=CC=C(C=C1)C(=O)O[C@@H]([C@H](OC(=O)C1=CC=C(C)C=C1)C(O)=O)C(O)=O
InChIKey
InChIKey=LPXUVPUTJJMPLS-BTKDDBTRSA-N
Formula
C34H40N2O9
Mass
620.699
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
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
-
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 Toluenes Alkyl aryl ethers Pyridines and derivatives Monosaccharides Dicarboxylic acids and derivatives Heteroaromatic compounds Carboxylic acid esters Dialkylamines Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Benzoate ester - Benzoyl - Alkyl aryl ether - Toluene - Dicarboxylic acid or derivatives - Monosaccharide - Pyridine - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Azacycle - Ether - Organoheterocyclic compound - Secondary amine - Amine - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic nitrogen 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