Compound Identification
SMILES
COC(=O)C1=CC=C(\C=C\C2=CN(CC3=CC=CC=C3)C3=C2C(=O)N(COC(C)C)C(N)=N3)C=C1
InChIKey
InChIKey=LHUZUCYAQQRUHE-SDNWHVSQSA-N
Formula
C27H28N4O4
Mass
472.545
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 Styrenes Benzoyl derivatives Aminopyrimidines and derivatives Pyrimidones Substituted pyrroles Vinylogous amides Heteroaromatic compounds Methyl esters Lactams Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Primary amines Organic oxides Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoate ester - Pyrrolo[2,3-d]pyrimidine - Pyrrolopyrimidine - Benzoyl - Styrene - Aminopyrimidine - Pyrimidone - Pyrimidine - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Vinylogous amide - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Lactam - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Primary amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - 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