Compound Identification
SMILES
COC(=O)C1=C(C)C2=C(OCC1(O)C1=CC=CC=C1)C=CC(C)=C2
InChIKey
InChIKey=FHWLMDRCTMUOQI-UHFFFAOYSA-N
Formula
C20H20O4
Mass
324.376
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzoxepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzoxepines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzoxepines
Alternative Parents
Alkyl aryl ethers Benzene and substituted derivatives Tertiary alcohols Methyl esters Enoate esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxepine - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Tertiary alcohol - Carboxylic acid ester - Oxacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Alcohol - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzoxepines. These are organic compounds containing a benzene ring fused to an oxepine ring (an unsaturated seven-membered heterocycle with one oxygen atom replacing a carbon atom).
External Descriptors
Not available