Compound Identification
SMILES
CCN(CC)CCC1(C(=O)OC2=C1C=CC(Br)=C2)C1=CC=CC=C1
InChIKey
InChIKey=AIMWUVYJIUPGRT-UHFFFAOYSA-N
Formula
C20H22BrNO2
Mass
388.305
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
Benzofurans Aralkylamines Benzene and substituted derivatives Aryl bromides Trialkylamines Lactones Carboxylic acid esters Amino acids and derivatives Oxacyclic compounds Monocarboxylic acids and derivatives Organopnictogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-phenylcoumaran - Benzofuran - Aralkylamine - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid ester - Lactone - Oxacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organopnictogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxygen 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