Compound Identification
SMILES
CCN(CC)C(=O)C1CCCN(C1)C(=O)NC1=CC(=CC(=C1)C(=O)OC)C(=O)OC
InChIKey
InChIKey=OFNZCZWHPZPRMF-UHFFFAOYSA-N
Formula
C21H29N3O6
Mass
419.478
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 Piperidinecarboxamides Benzoyl derivatives Tertiary carboxylic acid amides Methyl esters Ureas Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Meta-phthalic acid ester - Meta_phthalic_acid - Benzoate ester - N-phenylurea - 1-piperidinecarboxamide - 3-piperidinecarboxamide - Piperidinecarboxamide - Benzoyl - Piperidine - Methyl ester - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Urea - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Carbonyl group - Organic oxygen 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