Structure Information
Structure

Compound Identification

SMILES

COCN1C(=O)N(COCC2=CC=CC=C2)C2=C(C(O)=CN2[C@@H]2C[C@H](OC(=O)C3=CC=C(C)C=C3)[C@@H](COC(=O)C3=CC=C(C)C=C3)O2)C1=O

InChIKey

InChIKey=XTZUQVHSUUCCAS-YPKYBTACSA-N

Formula

C37H37N3O10

Mass

683.714

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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

Benzoate ester - Pyrrolo[2,3-d]pyrimidine - Pyrrolopyrimidine - Benzoyl - Pyrimidone - Toluene - Pyrimidine - Substituted pyrrole - Heteroaromatic compound - Oxolane - Vinylogous amide - Vinylogous acid - Pyrrole - Carboxylic acid ester - Lactam - Urea - Carboxylic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic nitrogen compound - Organic oxygen 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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