Compound Identification
SMILES
COC(=O)C1CC2CC(O)CN(C2)CCC2=C1NC1=CC=CC=C21.CC1=CC=C(C=C1)C(=O)OC(C(OC(=O)C1=CC=C(C)C=C1)C(O)=O)C(O)=O
InChIKey
InChIKey=XWKUGXJNEIBSTH-UHFFFAOYSA-N
Formula
C39H42N2O11
Mass
714.768
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
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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
3-alkylindoles Benzoyl derivatives Toluenes Aralkylamines Piperidines Monosaccharides Dicarboxylic acids and derivatives Pyrroles Methyl esters Heteroaromatic compounds Trialkylamines Secondary alcohols 1,2-aminoalcohols Amino acids and derivatives Carboxylic acids Azacyclic compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Benzoate ester - 3-alkylindole - Indole or derivatives - Indole - Benzoyl - Aralkylamine - Toluene - Monosaccharide - Piperidine - Dicarboxylic acid or derivatives - Heteroaromatic compound - Pyrrole - Methyl ester - Secondary alcohol - Amino acid or derivatives - Carboxylic acid ester - Tertiary amine - 1,2-aminoalcohol - Tertiary aliphatic amine - Carboxylic acid derivative - Azacycle - Carboxylic acid - Organoheterocyclic compound - Alcohol - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Organooxygen compound - Organonitrogen 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