Compound Identification
SMILES
CCN(CC)C1=CC2=C(C=C1)C(COC(=O)CCN)=CC(=O)O2
InChIKey
InChIKey=DHLTYTCHLDFKRI-UHFFFAOYSA-N
Formula
C17H22N2O4
Mass
318.373
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Coumarins and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Coumarins and derivatives
Alternative Parents
Beta amino acids and derivatives 1-benzopyrans Dialkylarylamines Pyranones and derivatives Benzenoids Heteroaromatic compounds Lactones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - Coumarin - Benzopyran - 1-benzopyran - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Pyranone - Benzenoid - Pyran - Heteroaromatic compound - Amino acid or derivatives - Carboxylic acid ester - Lactone - Tertiary amine - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Primary aliphatic amine - Organic nitrogen compound - Hydrocarbon derivative - Amine - Carbonyl group - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Primary amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).
External Descriptors
Not available