Compound Identification
SMILES
COC1=CC(N2C[C@H](CC2=O)C(=O)NC2=CC3=C(OCC(=O)N3)C=C2)=C(OC)C=C1
InChIKey
InChIKey=MUKWCCKXWPRWBR-LBPRGKRZSA-N
Formula
C21H21N3O6
Mass
411.414
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyrrolidines
- Subclass Phenylpyrrolidines
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Class
Pyrrolidines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolidines
Subclass
Phenylpyrrolidines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrrolidines
Alternative Parents
Benzoxazinones Benzomorpholines Dimethoxybenzenes Methoxyanilines Phenoxy compounds Pyrrolidinecarboxamides N-arylamides Anisoles Alkyl aryl ethers Pyrrolidine-2-ones Pyrroles Tertiary carboxylic acid amides Lactams Amino acids and derivatives Secondary carboxylic acid amides Tertiary amines Oxacyclic compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxazinone - 1-phenylpyrrolidine - Benzomorpholine - Benzoxazine - Dimethoxybenzene - P-dimethoxybenzene - Methoxyaniline - Anisole - Phenoxy compound - Phenol ether - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-3-carboxamide - N-arylamide - Methoxybenzene - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - 2-pyrrolidone - Pyrrolidone - Oxazinane - Tertiary carboxylic acid amide - Pyrrole - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Lactam - Amino acid or derivatives - Ether - Carboxylic acid derivative - Oxacycle - Azacycle - Carbonyl group - Organic oxygen compound - Amine - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic 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