Compound Identification
SMILES
COC1=C(C)C2=C(C(=O)OC2)C(NC(C)C)=C1C\C=C(/C)CCC(O)=O
InChIKey
InChIKey=SWSJTZHVCREUCX-WUXMJOGZSA-N
Formula
C20H27NO5
Mass
361.438
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 Anisoles Secondary alkylarylamines Alkyl aryl ethers Amino fatty acids Methyl-branched fatty acids Heterocyclic fatty acids Unsaturated fatty acids Vinylogous amides Amino acids Lactones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phthalide - Methoxyaniline - Anisole - Phenol ether - Medium-chain fatty acid - Alkyl aryl ether - Amino fatty acid - Branched fatty acid - Heterocyclic fatty acid - Methyl-branched fatty acid - Secondary aliphatic/aromatic amine - Fatty acyl - Fatty acid - Benzenoid - Unsaturated fatty acid - Vinylogous amide - Amino acid or derivatives - Amino acid - Carboxylic acid ester - Lactone - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Secondary amine - Carboxylic acid derivative - Oxacycle - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Amine - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - 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