Compound Identification
SMILES
CCCOC1=CC=C(C=C1)C1N(CC[NH+](C)C)C(=O)C([O-])=C1C(=O)C1=CC=CO1
InChIKey
InChIKey=HAKCMFUPYRKLOC-UHFFFAOYSA-N
Formula
C22H26N2O5
Mass
398.459
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Pyrrolines
- Subclass Phenylpyrrolines
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Class
Pyrrolines
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolines
Subclass
Phenylpyrrolines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrrolines
Alternative Parents
Aryl ketones Phenol ethers Phenoxy compounds Pyrroline carboxylic acids and derivatives Alkyl aryl ethers Vinylogous acids Furans Heteroaromatic compounds Tertiary carboxylic acid amides Quaternary ammonium salts Pyrroles Lactams Amino acids and derivatives Trialkylamines Oxacyclic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Organic salts Organic zwitterions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrroline - Phenoxy compound - Pyrroline carboxylic acid or derivatives - Aryl ketone - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Pyrrole - Heteroaromatic compound - Furan - Vinylogous acid - Quaternary ammonium salt - Tertiary carboxylic acid amide - Tertiary aliphatic amine - Tertiary amine - Lactam - Ketone - Carboxamide group - Amino acid or derivatives - Carboxylic acid derivative - Ether - Oxacycle - Azacycle - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic salt - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrrolines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrroline ring through a CC or CN bond.
External Descriptors
Not available