Compound Identification
SMILES
COC1=C(OCC2=CC=CC=C2)C=CC(=C1)C1C(C#N)=C(NC(C)=C1C(=O)OCC=C)SCC(=O)NC1=CC=C(Br)C=C1
InChIKey
InChIKey=UQLPNXUSTVQXBT-UHFFFAOYSA-N
Formula
C33H30BrN3O5S
Mass
660.58
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
Anilides Anisoles Methoxybenzenes Phenoxy compounds N-arylamides Alkyl aryl ethers Bromobenzenes Aryl bromides Enoate esters Vinylogous amides Secondary carboxylic acid amides Ketene acetals Monocarboxylic acids and derivatives Azacyclic compounds Sulfenyl compounds Nitriles Organobromides Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Dihydropyridinecarboxylic acid derivative - Anilide - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - N-arylamide - Alkyl aryl ether - Halobenzene - Bromobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous amide - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Ketene acetal or derivatives - Azacycle - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Sulfenyl compound - Ether - Organosulfur compound - Organic oxygen compound - Cyanide - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organobromide - Organonitrogen compound - Organooxygen 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