Compound Identification
SMILES
COC1=CC=CC([C@H](O)C2CCN(CCC3=CC=C(F)C=C3)CC2)=C1OC.COC1=CC=C(C=C1)C(=O)O[C@@H]([C@H](OC(=O)C1=CC=C(OC)C=C1)C(O)=O)C(O)=O
InChIKey
InChIKey=NUYKYBMENVJFNS-DTRDLTGSSA-N
Formula
C42H46FNO13
Mass
791.822
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
P-methoxybenzoic acids and derivatives
Alternative Parents
Dimethoxybenzenes Benzoic acid esters Phenethylamines Phenoxy compounds Anisoles Benzoyl derivatives Alkyl aryl ethers Aralkylamines Fluorobenzenes Piperidines Monosaccharides Dicarboxylic acids and derivatives Aryl fluorides Trialkylamines Secondary alcohols Carboxylic acid esters Carboxylic acids Azacyclic compounds Organofluorides Aromatic alcohols Hydrocarbon derivatives Organic oxides Carbonyl compounds
Molecular Framework
Not available
Substituents
P-methoxybenzoic acid or derivatives - Dimethoxybenzene - O-dimethoxybenzene - Benzoate ester - Phenethylamine - Phenoxy compound - Phenol ether - Benzoyl - Anisole - Methoxybenzene - Fluorobenzene - Halobenzene - Aralkylamine - Alkyl aryl ether - Piperidine - Monosaccharide - Dicarboxylic acid or derivatives - Aryl fluoride - Aryl halide - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Organic oxygen compound - Aromatic alcohol - Amine - Carbonyl group - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as p-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 4 of the benzene ring is replaced by a methoxy group.
External Descriptors
Not available