Compound Identification
SMILES
CCOC1=CC=C(C=C1)N1C(C2=C(NCCN=C2C2=CC=C(Cl)C=C2)C1=O)C1=CC(OC)=C(OC)C=C1
InChIKey
InChIKey=JPYHJSIOXZNVNY-UHFFFAOYSA-N
Formula
C29H28ClN3O4
Mass
518.01
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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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
Alpha amino acids and derivatives Dimethoxybenzenes Phenoxy compounds Anisoles 1,4-diazepines Alkyl aryl ethers Chlorobenzenes Aryl chlorides Tertiary carboxylic acid amides Pyrroles Lactams Ketimines Propargyl-type 1,3-dipolar organic compounds Enamines Azacyclic compounds Dialkylamines Organochlorides Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-phenylpyrroline - 2-phenylpyrroline - Dimethoxybenzene - O-dimethoxybenzene - Alpha-amino acid or derivatives - Methoxybenzene - Anisole - Phenol ether - Phenoxy compound - Alkyl aryl ether - Chlorobenzene - Halobenzene - Para-diazepine - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Benzenoid - Tertiary carboxylic acid amide - Pyrrole - Amino acid or derivatives - Lactam - Ketimine - Carboxamide group - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Secondary aliphatic amine - Azacycle - Carboxylic acid derivative - Ether - Enamine - Secondary amine - Organic nitrogen compound - Imine - Carbonyl group - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic 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