Compound Identification
SMILES
CC1(C)OC[C@H](CC2=CC(=C(OCC3=CC=CC=C3)C=C2)C2(C=C)C(OC3=C2C=CC=C3Br)SC2=CC=CC=C2)N1C(=O)OCC1=CC=CC=C1
InChIKey
InChIKey=NQADZRXWHAEOJO-FOZLPCMYSA-N
Formula
C43H40BrNO5S
Mass
762.76
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Coumarans
- Subclass 1-phenylcoumarans
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Class
Coumarans
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Coumarans
Subclass
1-phenylcoumarans
Intermediate Tree Nodes
Not available
Direct Parent
1-phenylcoumarans
Alternative Parents
Benzyloxycarbonyls Phenoxy compounds Phenol ethers Aryl thioethers Alkyl aryl ethers Aryl bromides Oxazolidines Carbamate esters Monothioacetals Sulfenyl compounds Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organonitrogen compounds Organic oxides Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-phenylcoumaran - Benzyloxycarbonyl - Phenoxy compound - Aryl thioether - Phenol ether - Alkyl aryl ether - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Monothioacetal - Oxazolidine - Carbamic acid ester - Oxacycle - Ether - Azacycle - Sulfenyl compound - Organobromide - Organohalogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1-phenylcoumarans. These are compounds containing a coumaran ring system substituted at the 1-position with phenyl group.
External Descriptors
Not available