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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
Level 5
Phthalic acid and derivatives
-
Level 6
Phthalate esters
- Level 7 m-Phthalate esters
-
Level 6
Phthalate esters
-
Level 5
Phthalic acid and derivatives
-
Subclass
Benzoic acids and derivatives
-
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
Phthalic acid and derivatives - Phthalate esters
Direct Parent
m-Phthalate esters
Alternative Parents
Tryptamines and derivatives M-phthalic acid and derivatives Phenol esters 3-alkylindoles Benzoic acid esters 2-arylethylamines Benzoyl derivatives Aralkylamines Substituted pyrroles Heteroaromatic compounds Amino acids and derivatives Carboxylic acid esters Azacyclic compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Organooxygen compounds
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