Compound Identification
SMILES
CCOC(=O)N1C=CC(C=C1)(C(O)C1=CC=C(Cl)C=C1)P(=O)(OC(C)C)OC(C)C
InChIKey
InChIKey=TWXRNJTWZGYAJE-UHFFFAOYSA-N
Formula
C21H29ClNO6P
Mass
457.89
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
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
-
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
Dialkyl alkylphosphonates Chlorobenzenes Phosphonic acid esters Aryl chlorides Carbamate esters Secondary alcohols Azacyclic compounds Organophosphorus compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Dihydropyridinecarboxylic acid derivative - Chlorobenzene - Dialkyl alkylphosphonate - Halobenzene - Phosphonic acid diester - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Phosphonic acid ester - Benzenoid - Carbamic acid ester - Organophosphonic acid derivative - Secondary alcohol - Azacycle - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organooxygen compound - Organohalogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organophosphorus compound - Aromatic alcohol - Alcohol - 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