Compound Identification
SMILES
CCOC1=C(OC(=O)[C@@H]2CN(CCC3=CC=CC=C3)C(=O)C2)C=CC(=C1)C#N
InChIKey
InChIKey=BCLBLXBYLVUFKP-SFHVURJKSA-N
Formula
C22H22N2O4
Mass
378.428
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
Benzonitriles Phenol ethers Pyrrolidine carboxylic acids Phenoxy compounds Alkyl aryl ethers N-alkylpyrrolidines Pyrrolidine-2-ones Tertiary carboxylic acid amides Lactams Carboxylic acid esters Tertiary amines Amino acids and derivatives Nitriles Monocarboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenol ester - Phenoxy compound - Benzonitrile - Phenol ether - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Alkyl aryl ether - Monocyclic benzene moiety - N-alkylpyrrolidine - Pyrrolidone - 2-pyrrolidone - Pyrrolidine - Tertiary carboxylic acid amide - Tertiary amine - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Lactam - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Ether - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Carbonyl group - Cyanide - Organic oxygen compound - Hydrocarbon derivative - Amine - 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