Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

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

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

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