Compound Identification
SMILES
COCC1=CC2=C(C=C1C1=CC=C(N1)C1=CC=C(C=C1)C(O)=O)C(C)(C)CCC2(C)C
InChIKey
InChIKey=LBNMVFKAQBQWOY-UHFFFAOYSA-N
Formula
C27H31NO3
Mass
417.549
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
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrroles
Subclass
Substituted pyrroles
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrroles
Alternative Parents
Tetralins Benzoic acids Benzoyl derivatives Heteroaromatic compounds Dialkyl ethers Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenylpyrrole - Tetralin - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic 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