Structure Information
Structure

Compound Identification

SMILES

NCCC1=CNC2=C1C=C(OC(=O)C1=CC(=CC=C1)C(=O)OC1=CC3=C(NC=C3CCN)C=C1)C=C2

InChIKey

InChIKey=USKYZXNCKUDRSH-UHFFFAOYSA-N

Formula

C28H26N4O4

Mass

482.54

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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

Phthalic acid and derivatives - Phthalate esters

Direct Parent

m-Phthalate esters

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Meta-phthalic acid ester - Meta_phthalic_acid - Tryptamine - Benzoate ester - Phenol ester - 3-alkylindole - Indole - Indole or derivatives - Benzoyl - 2-arylethylamine - Aralkylamine - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Carboxylic acid ester - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Amine - Primary amine - Hydrocarbon derivative - Organic nitrogen compound - Primary aliphatic amine - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as m-phthalate esters. These are ester derivatives of m-phthalic acids, which are based on a benzene 1,3-dicarboxylic acid skeleton.

External Descriptors

Not available

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