Compound Identification
SMILES
CC(C)C(C([O-])=O)[N+]1=C(C)C=C2C=CC3=C(OC(C3)C(C)(C)O)C2=C1
InChIKey
InChIKey=XPPWTIMPUHJHKV-UHFFFAOYSA-N
Formula
C20H25NO4
Mass
343.423
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Isoquinolines and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Isoquinolines and derivatives
Alternative Parents
Alpha amino acids and derivatives Coumarans Alkyl aryl ethers Methylpyridines Pyridinium derivatives Benzenoids Tertiary alcohols Heteroaromatic compounds Carboxylic acid salts Carboxylic acids Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Organic salts Organic zwitterions Carbonyl compounds Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Isoquinoline - Coumaran - Alkyl aryl ether - Methylpyridine - Pyridine - Pyridinium - Benzenoid - Tertiary alcohol - Heteroaromatic compound - Carboxylic acid salt - Oxacycle - Azacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organic salt - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Alcohol - Organic zwitterion - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isoquinolines and derivatives. These are aromatic polycyclic compounds containing an isoquinoline moiety, which consists of a benzene ring fused to a pyridine ring and forming benzo[c]pyridine.
External Descriptors
Not available