Compound Identification
SMILES
COC(=O)[C@@H]1[C@@H]2[C@@H]3OC(C)(C)O[C@@H]3CN2C2=CC=CC=C12
InChIKey
InChIKey=YWIGVKHAQGKFFZ-XJFOESAGSA-N
Formula
C16H19NO4
Mass
289.331
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Indoles and derivatives
-
Subclass
Indolecarboxylic acids and derivatives
- Level 5 Indolecarboxylic acids
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Subclass
Indolecarboxylic acids and derivatives
-
Class
Indoles and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Indoles and derivatives
Subclass
Indolecarboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Indolecarboxylic acids
Alternative Parents
Dialkylarylamines Ketals Aralkylamines Benzenoids Pyrrolidines Methyl esters 1,3-dioxolanes Amino acids and derivatives Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indolecarboxylic acid - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Ketal - Aralkylamine - Benzenoid - Meta-dioxolane - Pyrrolidine - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Tertiary amine - Acetal - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Amine - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as indolecarboxylic acids. These are compounds containing a carboxylic acid group linked to an indole.
External Descriptors
Not available