Compound Identification
SMILES
COCN1C(=O)N(COCC2=CC=CC=C2)C2=C(C(O)=CN2[C@@H]2C[C@H](OC(=O)C3=CC=C(C)C=C3)[C@@H](COC(=O)C3=CC=C(C)C=C3)O2)C1=O
InChIKey
InChIKey=XTZUQVHSUUCCAS-YPKYBTACSA-N
Formula
C37H37N3O10
Mass
683.714
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
Pyrrolo[2,3-d]pyrimidines Benzoyl derivatives Toluenes Pyrimidones Substituted pyrroles Vinylogous amides Vinylogous acids Oxolanes Heteroaromatic compounds Ureas Carboxylic acid esters Lactams Azacyclic compounds Oxacyclic compounds Organonitrogen compounds Organooxygen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoate ester - Pyrrolo[2,3-d]pyrimidine - Pyrrolopyrimidine - Benzoyl - Pyrimidone - Toluene - Pyrimidine - Substituted pyrrole - Heteroaromatic compound - Oxolane - Vinylogous amide - Vinylogous acid - Pyrrole - Carboxylic acid ester - Lactam - Urea - Carboxylic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic 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