Compound Identification
SMILES
CN(CCOC(=O)C1=C(C)NC(C)=C(C1C1=CC(Cl)=CC=C1)P1(=O)OCC(C)(C)CO1)CC1=CC=CC=C1
InChIKey
InChIKey=JPAPZGPPWKIPRG-UHFFFAOYSA-N
Formula
C29H36ClN2O5P
Mass
559.04
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
Phenylmethylamines Benzylamines Phosphonic acid diesters Aralkylamines Chlorobenzenes Phosphonic acid esters Aryl chlorides Vinylogous amides Enoate esters Trialkylamines Amino acids and derivatives Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Enamines Dialkylamines Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organophosphorus compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Dihydropyridinecarboxylic acid derivative - Benzylamine - Phenylmethylamine - Chlorobenzene - Aralkylamine - Phosphonic acid diester - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Phosphonic acid ester - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Organophosphonic acid derivative - Amino acid or derivatives - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - Secondary amine - Carboxylic acid derivative - Oxacycle - Monocarboxylic acid or derivatives - Secondary aliphatic amine - Enamine - Azacycle - Organochloride - Organohalogen compound - Amine - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organophosphorus 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