Compound Identification
SMILES
COC(=O)C1=CC(=CC(NC(=O)N2CCC(CC2)N2CCCOC2=O)=C1)C(=O)OC
InChIKey
InChIKey=WTKNHPDOXGHMHW-UHFFFAOYSA-N
Formula
C20H25N3O7
Mass
419.434
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
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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 1,3-oxazinanes Methyl esters Carbamate esters Ureas Oxacyclic compounds 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 - Piperidinecarboxamide - Benzoyl - Piperidine - Oxazinane - 1,3-oxazinane - Methyl ester - Carbamic acid ester - Carboxylic acid ester - Urea - Oxacycle - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Organonitrogen compound - Organooxygen 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