Compound Identification
SMILES
COC(=O)CCC1=C(C(C(N)=O)=C(C)N1CCCO)C1=CC(C)=C(OC)C=C1
InChIKey
InChIKey=WBSIOFGPTVNEGX-UHFFFAOYSA-N
Formula
C21H28N2O5
Mass
388.464
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyrroles
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Subclass
Substituted pyrroles
- Level 5 Phenylpyrroles
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Subclass
Substituted pyrroles
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Class
Pyrroles
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrroles
Subclass
Substituted pyrroles
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrroles
Alternative Parents
Pyrrole carboxamides Phenoxy compounds Methoxybenzenes Anisoles Toluenes Alkyl aryl ethers Fatty acid esters Vinylogous amides Methyl esters Heteroaromatic compounds Primary carboxylic acid amides Alkanolamines Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Primary alcohols
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-phenylpyrrole - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Pyrrole-3-carboxamide - Pyrrole-3-carboxylic acid or derivatives - Alkyl aryl ether - Fatty acid ester - Toluene - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Heteroaromatic compound - Vinylogous amide - Methyl ester - Primary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Alkanolamine - Carboxylic acid derivative - Azacycle - Ether - Monocarboxylic acid or derivatives - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Primary alcohol - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrroles. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrole ring through a CC or CN bond.
External Descriptors
Not available