Compound Identification
SMILES
CCCCCCCCCCC1=CN=C(N=C1)C1=CC=C(OC(=O)C2CCC(CCCCCCC)(CC2)C#N)C=C1
InChIKey
InChIKey=XKJAFTMJAZZVSD-UHFFFAOYSA-N
Formula
C35H51N3O2
Mass
545.812
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
- Class Phenol esters
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenol esters
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Phenol esters
Alternative Parents
Phenoxy compounds Pyrimidines and pyrimidine derivatives Heteroaromatic compounds Carboxylic acid esters Nitriles Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenol ester - Phenoxy compound - Monocyclic benzene moiety - Pyrimidine - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Organoheterocyclic compound - Azacycle - Organonitrogen compound - Carbonyl group - Organooxygen compound - Cyanide - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenol esters. These are aromatic compounds containing a benzene ring substituted by a hydroxyl group and an ester group.
External Descriptors
Not available