Compound Identification
SMILES
COC(=O)C1=CC(=CC(NC(=O)N2CCCN(CC3=CC=CC(C)=N3)CC2)=C1)C(=O)OC
InChIKey
InChIKey=HZEFDQHZLAUCBB-UHFFFAOYSA-N
Formula
C23H28N4O5
Mass
440.5
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
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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
M-phthalic acid and derivatives N-phenylureas Benzoic acid esters 6-substituted-2-pyridinylmethylamines Benzoyl derivatives 1,4-diazepanes Aralkylamines Methylpyridines Methyl esters Heteroaromatic compounds Ureas Amino acids and derivatives Trialkylamines Azacyclic compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Meta-phthalic acid ester - Meta_phthalic_acid - N-phenylurea - Benzoate ester - 6-substituted-2-pyridinylmethylamine - 2-pyridylmethylamine - Benzoyl - 1,4-diazepane - Diazepane - Aralkylamine - Methylpyridine - Pyridine - Methyl ester - Heteroaromatic compound - Amino acid or derivatives - Urea - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Amine - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic 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