Compound Identification
SMILES
CCC(OCC1=CC=CC=C1)C1(OCC2=C1C=CC(=C2)C#N)C1=CC=C(F)C=C1
InChIKey
InChIKey=GHGRNLILTMQTFL-UHFFFAOYSA-N
Formula
C25H22FNO2
Mass
387.454
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Isocoumarans
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Isocoumarans
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Isocoumarans
Alternative Parents
Benzylethers Fluorobenzenes Aryl fluorides Oxacyclic compounds Nitriles Dialkyl ethers Organopnictogen compounds Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzylether - Isocoumaran - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Dialkyl ether - Ether - Oxacycle - Carbonitrile - Nitrile - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Cyanide - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isocoumarans. These are compounds containing the coumaran skeleton, which consists of a benzene ring fused to a 1,3-dihydrofuran ring.
External Descriptors
Not available