Compound Identification
SMILES
OC(=O)\C=C\C(O)=O.CN1CCOC2=C1C=C(Cl)C=C2C(=O)NC1CCN(CC2=CC=CC=C2)CC1
InChIKey
InChIKey=MVQPHHAESOISDF-WLHGVMLRSA-N
Formula
C26H30ClN3O6
Mass
515.99
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Piperidines
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Subclass
Benzylpiperidines
- Level 5 N-benzylpiperidines
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Subclass
Benzylpiperidines
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Class
Piperidines
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Piperidines
Subclass
Benzylpiperidines
Intermediate Tree Nodes
Not available
Direct Parent
N-benzylpiperidines
Alternative Parents
3-halobenzoic acids and derivatives Benzomorpholines Benzoxazines Phenylmethylamines Dialkylarylamines Benzylamines Alkyl aryl ethers Aralkylamines Unsaturated fatty acids Dicarboxylic acids and derivatives Aryl chlorides Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Oxacyclic compounds Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Organochlorides Organic oxides Carbonyl compounds
Molecular Framework
Not available
Substituents
N-benzylpiperidine - Benzoxazine - Benzomorpholine - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzylamine - Phenylmethylamine - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Alkyl aryl ether - Aralkylamine - Dicarboxylic acid or derivatives - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Oxazinane - Fatty acyl - Unsaturated fatty acid - Fatty acid - Benzenoid - Carboxamide group - Secondary carboxylic acid amide - Amino acid or derivatives - Tertiary amine - Tertiary aliphatic amine - Ether - Azacycle - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as n-benzylpiperidines. These are heterocyclic Compounds containing a piperidine ring conjugated to a benzyl group through one nitrogen ring atom.
External Descriptors
Not available