Compound Identification
SMILES
CC1=C(C=C(C=C1)C(=O)N(CCN1CCOCC1)CC(=O)N(CC1=CC=CO1)CC1=CC=C(F)C=C1)[N+]([O-])=O
InChIKey
InChIKey=VUEGJODSTPKHQK-UHFFFAOYSA-N
Formula
C28H31FN4O6
Mass
538.576
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
Level 5
Benzamides
- Level 6 Hippuric acids and derivatives
-
Level 5
Benzamides
-
Subclass
Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Benzamides
Direct Parent
Hippuric acids and derivatives
Alternative Parents
N,N-dialkyl-p-toluamides Alpha amino acids and derivatives Nitrobenzenes Nitrotoluenes Benzoyl derivatives Nitroaromatic compounds Fluorobenzenes Aryl fluorides Morpholines Tertiary carboxylic acid amides Furans Heteroaromatic compounds Trialkylamines Organic oxoazanium compounds Azacyclic compounds Dialkyl ethers Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic salts Organic zwitterions Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Hippuric acid or derivatives - N,n-dialkyl-p-toluamide - Alpha-amino acid or derivatives - P-toluamide - Toluamide - Nitrobenzene - Nitrotoluene - Nitroaromatic compound - Benzoyl - Fluorobenzene - Halobenzene - Toluene - Aryl fluoride - Aryl halide - Morpholine - Oxazinane - Furan - Heteroaromatic compound - Tertiary carboxylic acid amide - Organic nitro compound - Carboxamide group - Amino acid or derivatives - C-nitro compound - Tertiary amine - Tertiary aliphatic amine - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Carboxylic acid derivative - Oxacycle - Organic 1,3-dipolar compound - Dialkyl ether - Allyl-type 1,3-dipolar organic compound - Ether - Propargyl-type 1,3-dipolar organic compound - Amine - Organic oxide - Hydrocarbon derivative - Organic salt - Organohalogen compound - Organofluoride - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Organic zwitterion - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as hippuric acids and derivatives. These are compounds containing a hippuric acid or a derivative, with a structure characterized the presence of a benzoyl group linked to the N-terminal of a glycine.
External Descriptors
Not available