Compound Identification
SMILES
OC(=O)\C=C/C(O)=O.OC(CNC1CCCCC1)COC1=CC=CC2=C1C=CN2
InChIKey
InChIKey=OUAXVTDNXXIVSO-BTJKTKAUSA-N
Formula
C21H28N2O6
Mass
404.463
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Indoles and derivatives
- Subclass Indoles
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Class
Indoles and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Indoles and derivatives
Subclass
Indoles
Intermediate Tree Nodes
Not available
Direct Parent
Indoles
Alternative Parents
Phenol ethers Cyclohexylamines Alkyl aryl ethers Unsaturated fatty acids Dicarboxylic acids and derivatives Pyrroles Heteroaromatic compounds Secondary alcohols 1,2-aminoalcohols Dialkylamines Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Indole - Phenol ether - Alkyl aryl ether - Cyclohexylamine - Dicarboxylic acid or derivatives - Fatty acyl - Fatty acid - Benzenoid - Unsaturated fatty acid - Heteroaromatic compound - Pyrrole - 1,2-aminoalcohol - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Ether - Azacycle - Secondary amine - Organic oxygen compound - Organic oxide - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organonitrogen compound - Organooxygen compound - Carbonyl group - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.
External Descriptors
Not available