Compound Identification
SMILES
CC1=CC=C(C=C1)C(=O)OC[C@H]1O[C@H](C[C@@H]1OC(=O)C1=CC=C(C)C=C1)N1C=CC2=C1N=C(N)N=C2Cl
InChIKey
InChIKey=IEHUSIDAKYJMAW-BHDDXSALSA-N
Formula
C27H25ClN4O5
Mass
520.97
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
Pyrrolo[2,3-d]pyrimidines Benzoyl derivatives Toluenes Aminopyrimidines and derivatives Halopyrimidines Substituted pyrroles Aryl chlorides Oxolanes Heteroaromatic compounds Carboxylic acid esters Amino acids and derivatives Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Primary amines Organooxygen compounds Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoate ester - Pyrrolo[2,3-d]pyrimidine - Pyrrolopyrimidine - Benzoyl - Aminopyrimidine - Halopyrimidine - Toluene - Aryl chloride - Aryl halide - Pyrimidine - Substituted pyrrole - Heteroaromatic compound - Oxolane - Pyrrole - Amino acid or derivatives - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Oxacycle - Primary amine - Organohalogen compound - Organochloride - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organic nitrogen 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