Compound Identification
SMILES
COC(=O)C1=C(C)C(C([O-])=C2C(N(CC[NH+]3CCOCC3)C(=O)C2=O)C2=CC=C(C=C2)C(C)C)=C(C)N1
InChIKey
InChIKey=MNXBADSROKPFME-UHFFFAOYSA-N
Formula
C28H35N3O6
Mass
509.603
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Pyrrolidines
- Subclass Phenylpyrrolidines
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Class
Pyrrolidines
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolidines
Subclass
Phenylpyrrolidines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrrolidines
Alternative Parents
Aromatic monoterpenoids Monocyclic monoterpenoids Cumenes Phenylpropanes Pyrrole carboxylic acids and derivatives Substituted pyrroles Morpholines Pyrrolidine-3-ones Pyrrolidine-2-ones N-alkylpyrrolidines Vinylogous acids Heteroaromatic compounds Methyl esters Tertiary carboxylic acid amides Quaternary ammonium salts Trialkylamines Lactams Amino acids and derivatives Cyclic ketones Azacyclic compounds Dialkyl ethers Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrrolidine - P-cymene - Aromatic monoterpenoid - Monocyclic monoterpenoid - Monoterpenoid - Cumene - Phenylpropane - Pyrrole-2-carboxylic acid or derivatives - Monocyclic benzene moiety - Morpholine - Oxazinane - Pyrrolidone - 2-pyrrolidone - 3-pyrrolidone - Substituted pyrrole - N-alkylpyrrolidine - Benzenoid - Quaternary ammonium salt - Methyl ester - Pyrrole - Vinylogous acid - Tertiary carboxylic acid amide - Heteroaromatic compound - Cyclic ketone - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid ester - Ketone - Lactam - Amino acid or derivatives - Carboxylic acid derivative - Azacycle - Oxacycle - Dialkyl ether - Ether - Organic oxide - Organic zwitterion - Organic salt - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
External Descriptors
Not available