Compound Identification
SMILES
COC1=CC=C(OCC2CN(C3CCN(CC3)C(=O)C3=CC(OC)=C(OC)C=C3Br)C(=O)O2)C=C1
InChIKey
InChIKey=MHUMYHDQDKWIFR-UHFFFAOYSA-N
Formula
C25H29BrN2O7
Mass
549.418
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoyl derivatives
- Level 5 1-benzoylpiperidines
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Subclass
Benzoyl derivatives
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoyl derivatives
Intermediate Tree Nodes
Not available
Direct Parent
1-benzoylpiperidines
Alternative Parents
N-benzoylpiperidines 2-halobenzoic acids and derivatives Dimethoxybenzenes Benzamides Phenoxy compounds Anisoles Alkyl aryl ethers Bromobenzenes Oxazolidinones Aryl bromides Vinylogous halides Tertiary carboxylic acid amides Carbamate esters Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Organobromides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
1-benzoylpiperidine - N-benzoylpiperidine - O-dimethoxybenzene - Dimethoxybenzene - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - N-acyl-piperidine - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Oxazolidinone - Piperidine - Oxazolidine - Tertiary carboxylic acid amide - Carbamic acid ester - Vinylogous halide - Carboxamide group - Oxacycle - Organoheterocyclic compound - Azacycle - Ether - Carboxylic acid derivative - Organooxygen compound - Organohalogen compound - Carbonyl group - Organobromide - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 1-benzoylpiperidines. These are compounds containing a piperidine ring substituted at the 1-position with a benzoyl group.
External Descriptors
Not available