Compound Identification
SMILES
COC(=O)C1=CC(CN2C=C(C=NNC(=O)CNC3=CC(C)=C(C)C=C3)C3=CC=CC=C23)=CC=C1
InChIKey
InChIKey=XPTXOTSZKMVZDV-UHFFFAOYSA-N
Formula
C28H28N4O3
Mass
468.557
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
N-alkylindoles Alpha amino acids and derivatives Indoles o-Xylenes Phenylalkylamines Benzoyl derivatives Aniline and substituted anilines Secondary alkylarylamines Substituted pyrroles Methyl esters Heteroaromatic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Benzoate ester - N-alkylindole - Indole or derivatives - Indole - O-xylene - Aniline or substituted anilines - Phenylalkylamine - Benzoyl - Xylene - Secondary aliphatic/aromatic amine - Substituted pyrrole - Methyl ester - Pyrrole - Heteroaromatic compound - Carboxylic acid ester - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Secondary amine - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organic oxide - 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