Compound Identification
SMILES
CCC1=NC(=C(CC)N=C1NC1CN(CC1OCCF)C(=O)OCCN)C1=C(Cl)C=C(Cl)C=C1
InChIKey
InChIKey=XGEOHGUTIVTVJT-UHFFFAOYSA-N
Formula
C23H30Cl2FN5O3
Mass
514.42
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Pyrrolidines
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Subclass
Pyrrolidine carboxylic acids and derivatives
- Level 5 Pyrrolidine carboxylic acids
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Subclass
Pyrrolidine carboxylic acids and derivatives
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Class
Pyrrolidines
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolidines
Subclass
Pyrrolidine carboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Pyrrolidine carboxylic acids
Alternative Parents
Dichlorobenzenes Aminopyrazines Imidolactams Aryl chlorides Heteroaromatic compounds Carbamate esters Dialkyl ethers Azacyclic compounds Organofluorides Organochlorides Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Pyrrolidine carboxylic acid - 1,3-dichlorobenzene - Aminopyrazine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Imidolactam - Benzenoid - Pyrazine - Heteroaromatic compound - Carbamic acid ester - Azacycle - Dialkyl ether - Ether - Alkyl fluoride - Organohalogen compound - Primary aliphatic amine - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Primary amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Alkyl halide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyrrolidine carboxylic acids. These are compounds containing a pyrrolidine ring which bears a carboxylic acid. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
External Descriptors
Not available