Compound Identification
SMILES
CCC1=CC(=O)OC2=CC(OC(C)C(=O)NCCN3CCOCC3)=C(Cl)C=C12
InChIKey
InChIKey=SLWZOBATMXKOSW-UHFFFAOYSA-N
Formula
C20H25ClN2O5
Mass
408.88
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
1-benzopyrans Phenol ethers Pyranones and derivatives Alkyl aryl ethers Morpholines Aryl chlorides Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Lactones Oxacyclic compounds Azacyclic compounds Dialkyl ethers Hydrocarbon derivatives Organochlorides Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - 1-benzopyran - Benzopyran - Phenol ether - Alkyl aryl ether - Pyranone - Aryl halide - Benzenoid - Morpholine - Pyran - Oxazinane - Aryl chloride - Heteroaromatic compound - Lactone - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Amino acid or derivatives - Oxacycle - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Dialkyl ether - Ether - Organic oxygen compound - Amine - Carbonyl group - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organochloride - 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