Compound Identification
SMILES
COC(=O)C1=CC(=CC(NC(=O)N2CCC(CC2)N2C3C(CC4=CC=CC=C34)OC2=O)=C1)C(=O)OC
InChIKey
InChIKey=XFAVDRGHLYMNFV-UHFFFAOYSA-N
Formula
C26H27N3O7
Mass
493.516
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 Benzoic acid esters N-phenylureas Piperidinecarboxamides Indanes Benzoyl derivatives Oxazolidinones Carbamate esters Methyl esters Ureas Azacyclic compounds Oxacyclic compounds Organic oxides Organonitrogen compounds Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Meta-phthalic acid ester - Meta_phthalic_acid - Benzoate ester - N-phenylurea - Indane - 1-piperidinecarboxamide - Piperidinecarboxamide - Benzoyl - Oxazolidinone - Piperidine - Oxazolidine - Methyl ester - Carbamic acid ester - Carboxylic acid ester - Urea - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic nitrogen 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