Compound Identification
SMILES
CCCOC1=NC(N)=NC2=NN(C=C12)[C@H]1C[C@H](OC(=O)C2=CC=C(C)C=C2)[C@@H](COC(=O)C2=CC=C(C)C=C2)O1
InChIKey
InChIKey=XRPCTVDSIWIJSC-RBZQAINGSA-N
Formula
C29H31N5O6
Mass
545.596
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
-
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
Pyrazolo[3,4-d]pyrimidines Benzoyl derivatives Toluenes Aminopyrimidines and derivatives Alkyl aryl ethers Pyrazoles Oxolanes Heteroaromatic compounds Carboxylic acid esters Amino acids and derivatives Oxacyclic compounds Azacyclic compounds Primary amines Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoate ester - Pyrazolo[3,4-d]pyrimidine - Pyrazolopyrimidine - Benzoyl - Alkyl aryl ether - Aminopyrimidine - Toluene - Pyrimidine - Azole - Heteroaromatic compound - Pyrazole - Oxolane - Amino acid or derivatives - Carboxylic acid ester - Oxacycle - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Primary amine - 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