Compound Identification
SMILES
CCCN(C(C)C)C1=C(C\C=C(/C)CCC(O)=O)C(OC)=C(C)C2=C1C(=O)OC2
InChIKey
InChIKey=QVLMMQHCJZXVJH-OVCLIPMQSA-N
Formula
C23H33NO5
Mass
403.519
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Isocoumarans
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Subclass
Isobenzofuranones
- Level 5 Phthalides
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Subclass
Isobenzofuranones
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Class
Isocoumarans
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Isocoumarans
Subclass
Isobenzofuranones
Intermediate Tree Nodes
Not available
Direct Parent
Phthalides
Alternative Parents
Methoxyanilines Medium-chain fatty acids Dialkylarylamines Anisoles Alkyl aryl ethers Methyl-branched fatty acids Heterocyclic fatty acids Amino fatty acids Unsaturated fatty acids Vinylogous amides Lactones Amino acids Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phthalide - Methoxyaniline - Anisole - Phenol ether - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Medium-chain fatty acid - Alkyl aryl ether - Amino fatty acid - Branched fatty acid - Heterocyclic fatty acid - Methyl-branched fatty acid - Fatty acyl - Fatty acid - Unsaturated fatty acid - Benzenoid - Vinylogous amide - Amino acid or derivatives - Tertiary amine - Amino acid - Lactone - Carboxylic acid ester - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Ether - Carboxylic acid - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organic oxide - Organooxygen compound - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phthalides. These are compounds containing a 3-hydrocarbylidene-2-benzofuran-1(3H)-one moiety,.
External Descriptors
Not available