Compound Identification
SMILES
CCOC(=O)C1=CC=C(C=C1)N(C[C@@H](O)COC1=CC=CC(N)=C1N)C1CCNCC1
InChIKey
InChIKey=XRFFNDJIPWRCRC-LJQANCHMSA-N
Formula
C23H32N4O4
Mass
428.533
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acid esters
-
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
Not available
Direct Parent
Benzoic acid esters
Alternative Parents
Aminobenzoic acids and derivatives Aminophenyl ethers Aniline and substituted anilines Benzoyl derivatives Dialkylarylamines Phenoxy compounds Alkyl aryl ethers Aminopiperidines Carboxylic acid esters 1,2-aminoalcohols Amino acids and derivatives Secondary alcohols Dialkylamines Azacyclic compounds Primary amines Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aminobenzoic acid or derivatives - Benzoate ester - Aminophenyl ether - Phenoxy compound - Benzoyl - Phenol ether - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - 4-aminopiperidine - Alkyl aryl ether - Piperidine - Amino acid or derivatives - Tertiary amine - 1,2-aminoalcohol - Secondary alcohol - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Secondary amine - Carboxylic acid derivative - Secondary aliphatic amine - Ether - Alcohol - Hydrocarbon derivative - Amine - Organic oxygen compound - Primary amine - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
External Descriptors
Not available