Compound Identification
SMILES
COC(=O)C1=CC=C(CC(C)NCC(O)C2=CC(OCC3=CC=CC=C3)=CC(OCC3=CC=CC=C3)=C2)C=C1
InChIKey
InChIKey=JTQPXKHMNDBXSO-UHFFFAOYSA-N
Formula
C33H35NO5
Mass
525.645
Taxonomic Classification
Taxonomy Tree
-
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
-
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
Amphetamines and derivatives Phenylpropanes Phenoxy compounds Phenol ethers Benzoyl derivatives Aralkylamines Alkyl aryl ethers Methyl esters Secondary alcohols Amino acids and derivatives 1,2-aminoalcohols Dialkylamines Organic oxides Hydrocarbon derivatives Aromatic alcohols
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzoate ester - Amphetamine or derivatives - Phenylpropane - Benzoyl - Phenol ether - Phenoxy compound - Aralkylamine - Alkyl aryl ether - Methyl ester - Secondary alcohol - 1,2-aminoalcohol - Carboxylic acid ester - Amino acid or derivatives - Ether - Secondary amine - Secondary aliphatic amine - Carboxylic acid derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Aromatic alcohol - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Alcohol - Aromatic homomonocyclic 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