Compound Identification
SMILES
CCOC(=O)CCC1=CC2=C(OC(CNC[C@H](O)C3=CC(Cl)=CC=C3)CC2)C=C1
InChIKey
InChIKey=PHRNEKKYEJHNKJ-LBAQZLPGSA-N
Formula
C23H28ClNO4
Mass
417.93
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Benzopyrans
- Subclass 1-benzopyrans
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Class
Benzopyrans
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzopyrans
Subclass
1-benzopyrans
Intermediate Tree Nodes
Not available
Direct Parent
1-benzopyrans
Alternative Parents
Alkyl aryl ethers Aralkylamines Fatty acid esters Chlorobenzenes Aryl chlorides Secondary alcohols 1,2-aminoalcohols Amino acids and derivatives Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Dialkylamines Aromatic alcohols Organochlorides Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-benzopyran - Alkyl aryl ether - Chlorobenzene - Fatty acid ester - Halobenzene - Aralkylamine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Fatty acyl - Secondary alcohol - Amino acid or derivatives - 1,2-aminoalcohol - Carboxylic acid ester - Oxacycle - Secondary amine - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Ether - Secondary aliphatic amine - Organooxygen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Alcohol - Organohalogen compound - Organochloride - Aromatic alcohol - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1-benzopyrans. These are organic aromatic compounds that 1-benzopyran, a bicyclic compound made up of a benzene ring fused to a pyran, so that the oxygen atom is at the 1-position.
External Descriptors
Not available