Compound Identification
SMILES
CC1CN(C(C)CN1CC1=CC=C(F)C=C1)C(=O)COC1=C(OCC2=C(C=CO2)C(O)=O)C=C(Cl)C=C1
InChIKey
InChIKey=PGVYWOWDDMGYSU-UHFFFAOYSA-N
Formula
C27H28ClFN2O6
Mass
530.98
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
-
Class
Furans
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Subclass
Furoic acid and derivatives
- Level 5 Furoic acids
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Subclass
Furoic acid and derivatives
-
Class
Furans
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Furans
Subclass
Furoic acid and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Furoic acids
Alternative Parents
Phenylmethylamines Phenoxy compounds Phenol ethers Benzylamines Furan-3-carboxylic acids Alkyl aryl ethers Aralkylamines Chlorobenzenes N-alkylpiperazines Fluorobenzenes Aryl chlorides Aryl fluorides Tertiary carboxylic acid amides Heteroaromatic compounds Trialkylamines Amino acids Carboxylic acids Azacyclic compounds Oxacyclic compounds Organic oxides Carbonyl compounds Organochlorides Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Furoic acid - Furan-3-carboxylic acid - Furan-3-carboxylic acid or derivatives - Phenoxy compound - Benzylamine - Phenol ether - Phenylmethylamine - Alkyl aryl ether - Halobenzene - Fluorobenzene - Chlorobenzene - N-alkylpiperazine - Aralkylamine - 1,4-diazinane - Piperazine - Aryl chloride - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Tertiary carboxylic acid amide - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Amino acid - Amino acid or derivatives - Carboxamide group - Oxacycle - Azacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Organic oxygen compound - Organonitrogen compound - Carbonyl group - Organooxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organofluoride - Organochloride - Organic oxide - Organohalogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as furoic acids. These are organic compounds containing a furoic acid moiety, with a structure characterized by a furan ring bearing a carboxylic acid group at the C2 or C3 carbon atom.
External Descriptors
Not available