Compound Identification
SMILES
C[C@H](CNC1=CC=CC(=C1)C1=C(C=CO1)C(O)=O)NC[C@H](O)C1=CC(Cl)=CC=C1
InChIKey
InChIKey=BQYBTKTZDVRZNT-VLIAUNLRSA-N
Formula
C22H23ClN2O4
Mass
414.89
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Furans
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Subclass
Furoic acid and derivatives
- Level 5 Furoic acids
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Subclass
Furoic acid and derivatives
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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
Aniline and substituted anilines Phenylalkylamines Furan-3-carboxylic acids Secondary alkylarylamines Chlorobenzenes Aryl chlorides Heteroaromatic compounds 1,2-aminoalcohols Secondary alcohols Amino acids Dialkylamines Oxacyclic compounds Carboxylic acids Hydrocarbon derivatives Organochlorides Aromatic alcohols Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Furan-3-carboxylic acid - Furan-3-carboxylic acid or derivatives - Furoic acid - Aniline or substituted anilines - Phenylalkylamine - Halobenzene - Secondary aliphatic/aromatic amine - Chlorobenzene - Aralkylamine - Aryl chloride - Benzenoid - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Amino acid - Secondary alcohol - Amino acid or derivatives - 1,2-aminoalcohol - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Secondary amine - Organic oxygen compound - Aromatic alcohol - Amine - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organohalogen compound - Organochloride - Organonitrogen 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