Compound Identification
SMILES
C[C@H](CC1=CC(F)=C(OCC2=CC(Cl)=CC3=C2OC(C)(C)C3)C=C1)C(=O)N1C(C)CCC1=O
InChIKey
InChIKey=OHBKOTWELNFMAM-AAFJCEBUSA-N
Formula
C26H29ClFNO4
Mass
473.97
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Coumarans
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Coumarans
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Coumarans
Alternative Parents
Phenylpropanes Phenoxy compounds Phenol ethers N-acylpyrrolidines Alkyl aryl ethers Fluorobenzenes Pyrrolidine-2-ones Aryl chlorides Aryl fluorides N-substituted carboxylic acid imides Dicarboximides Lactams Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organochlorides Carbonyl compounds Organofluorides Organonitrogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumaran - Phenylpropane - Phenoxy compound - Phenol ether - N-acylpyrrolidine - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - 2-pyrrolidone - Pyrrolidone - Carboxylic acid imide, n-substituted - Carboxylic acid imide - Dicarboximide - Pyrrolidine - Lactam - Azacycle - Ether - Carboxylic acid derivative - Oxacycle - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - Organofluoride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as coumarans. These are compounds containing the coumaran skeleton, which consists of a benzene ring fused to a 2,3-dihydrofuran ring.
External Descriptors
Not available