Compound Identification
SMILES
COC(=O)C1=CC(=CC(NC(=O)N2CCN(CC2)C2=C(OC)C=C(OC)C=C2)=C1)C(=O)OC
InChIKey
InChIKey=YXRFKEVPWKCVRZ-UHFFFAOYSA-N
Formula
C23H27N3O7
Mass
457.483
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
M-phthalic acid and derivatives N-arylpiperazines Phenylpiperazines Benzoic acid esters Dimethoxybenzenes N-phenylureas Piperazine carboxamides Methoxyanilines Aminophenyl ethers Dialkylarylamines Benzoyl derivatives Anisoles Phenoxy compounds Alkyl aryl ethers Methyl esters Ureas Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Meta-phthalic acid ester - Meta_phthalic_acid - Phenylpiperazine - N-arylpiperazine - Benzoate ester - N-phenylurea - M-dimethoxybenzene - Dimethoxybenzene - Aminophenyl ether - Piperazine-1-carboxamide - Methoxyaniline - Anisole - Benzoyl - Phenoxy compound - Phenol ether - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Methoxybenzene - Alkyl aryl ether - Piperazine - 1,4-diazinane - Methyl ester - Urea - Tertiary amine - Carboxylic acid ester - Amino acid or derivatives - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Ether - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Amine - Organooxygen compound - Organonitrogen 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