Compound Identification
SMILES
CC1(C)C2=C(C=CC(CC([O-])=O)=C2)[N+]2=C1C1=CC3=C4CC5=CC=CC=C5N4CCC3OC1CC2
InChIKey
InChIKey=QHKCMAJKFBVYRP-UHFFFAOYSA-N
Formula
C29H28N2O3
Mass
452.554
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Indoles and derivatives
-
Subclass
Indoles
- Level 5 3-alkylindoles
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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
3-alkylindoles
Alternative Parents
Tertiary alkylarylamines Tetrahydropyridines Pyrans Benzenoids Amino acids Carboxylic acid salts Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Oxacyclic compounds Carboxylic acids Dialkyl ethers Monocarboxylic acids and derivatives Enamines Carbonyl compounds Hydrocarbon derivatives Organic salts Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-alkylindole - Tertiary aliphatic/aromatic amine - Tetrahydropyridine - Pyran - Benzenoid - Amino acid or derivatives - Carboxylic acid salt - Amino acid - Tertiary amine - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Enamine - Ether - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic salt - Carbonyl group - Amine - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 3-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 3-position.
External Descriptors
Not available