Compound Identification
SMILES
COC1=C(C=C(Br)C=C1)C(N1CCCC(C1)C(O)=O)C1=CC2=CC=CC=C2S1
InChIKey
InChIKey=GWVBLIUKTUWFMJ-UHFFFAOYSA-N
Formula
C22H22BrNO3S
Mass
460.39
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
Piperidinecarboxylic acids and derivatives
- Level 5 Piperidinecarboxylic acids
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Subclass
Piperidinecarboxylic acids and derivatives
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Class
Piperidines
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Piperidines
Subclass
Piperidinecarboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Piperidinecarboxylic acids
Alternative Parents
1-benzothiophenes 2,3,5-trisubstituted thiophenes Anisoles Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Bromobenzenes Aralkylamines Aryl bromides Heteroaromatic compounds Trialkylamines Amino acids Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organic oxides Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiophene - 1-benzothiophene - Piperidinecarboxylic acid - Anisole - Phenoxy compound - Phenol ether - 2,3,5-trisubstituted thiophene - Methoxybenzene - Alkyl aryl ether - Bromobenzene - Halobenzene - Aralkylamine - Benzenoid - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Thiophene - Tertiary aliphatic amine - Tertiary amine - Amino acid - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Carbonyl group - Amine - Organic oxygen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as piperidinecarboxylic acids. These are compounds containing a piperidine ring which bears a carboxylic acid group.
External Descriptors
Not available