Compound Identification
SMILES
COC1=C(O)C=CC(=C1)C(O)=O.N[C@@H](CC(=O)N1CCN2C(C1)=C(N=C2C(F)(F)F)C(O)=O)CC1=CC(F)=C(F)C=C1F
InChIKey
InChIKey=CTPWGQJWAXVFMW-SBSPUUFOSA-N
Formula
C26H24F6N4O7
Mass
618.489
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Methoxybenzoic acids and derivatives
Direct Parent
M-methoxybenzoic acids and derivatives
Alternative Parents
Beta amino acids and derivatives Amphetamines and derivatives Hydroxybenzoic acid derivatives Methoxyphenols Benzoic acids Benzoyl derivatives Phenoxy compounds Anisoles Methoxybenzenes Aralkylamines Carbonylimidazoles 1-hydroxy-2-unsubstituted benzenoids Fluorobenzenes Alkyl aryl ethers Aryl fluorides N-substituted imidazoles Tertiary carboxylic acid amides Vinylogous amides Heteroaromatic compounds Tertiary amines Amino acids Carboxylic acids Azacyclic compounds Organofluorides Hydrocarbon derivatives Monoalkylamines Alkyl fluorides Carbonyl compounds Organic oxides
Molecular Framework
Not available
Substituents
Beta amino acid or derivatives - M-methoxybenzoic acid or derivatives - Amphetamine or derivatives - Hydroxybenzoic acid - Methoxyphenol - Benzoic acid - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Methoxybenzene - Fluorobenzene - Halobenzene - Imidazole-4-carbonyl group - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Aralkylamine - Phenol - Aryl fluoride - Aryl halide - N-substituted imidazole - Azole - Imidazole - Tertiary carboxylic acid amide - Vinylogous amide - Heteroaromatic compound - Carboxamide group - Amino acid - Amino acid or derivatives - Tertiary amine - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Carbonyl group - Primary aliphatic amine - Alkyl halide - Alkyl fluoride - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Primary amine - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as m-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 3 of the benzene ring is replaced by a methoxy group.
External Descriptors
Not available