Compound Identification
SMILES
CN1CCN(CCC2=C(C(C(C(O)=O)=C(CCC3=CC=CC=C3)N2)C2=C(Cl)C=CC=C2Cl)C(O)=O)CC1
InChIKey
InChIKey=PKSYVADJKSPRPT-UHFFFAOYSA-N
Formula
C28H31Cl2N3O4
Mass
544.47
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Pyridines and derivatives
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Subclass
Hydropyridines
- Level 5 Dihydropyridines
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Subclass
Hydropyridines
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Class
Pyridines and derivatives
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
Hydropyridines
Intermediate Tree Nodes
Dihydropyridines
Direct Parent
Dihydropyridinecarboxylic acids and derivatives
Alternative Parents
Dichlorobenzenes N-methylpiperazines Dicarboxylic acids and derivatives Aryl chlorides Vinylogous amides Trialkylamines Amino acids Enamines Dialkylamines Carboxylic acids Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Dihydropyridinecarboxylic acid derivative - 1,3-dichlorobenzene - Halobenzene - N-methylpiperazine - N-alkylpiperazine - Chlorobenzene - Aryl chloride - Aryl halide - Dicarboxylic acid or derivatives - Piperazine - 1,4-diazinane - Benzenoid - Monocyclic benzene moiety - Vinylogous amide - Tertiary aliphatic amine - Amino acid - Amino acid or derivatives - Tertiary amine - Carboxylic acid derivative - Carboxylic acid - Azacycle - Secondary aliphatic amine - Secondary amine - Enamine - Organic oxygen compound - Organic nitrogen compound - Amine - Carbonyl group - Organic oxide - Organooxygen compound - Organonitrogen compound - Organochloride - Hydrocarbon derivative - Organohalogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as dihydropyridinecarboxylic acids and derivatives. These are compounds containing a dihydropyridine moiety bearing a carboxylic acid group.
External Descriptors
Not available