Compound Identification
SMILES
COC1=CC(OC[C@@H](O)CN2CCC3(CC4=C(O3)C=CC(Cl)=C4)CC2)=C(C=C1)C(O)=O
InChIKey
InChIKey=YXLBWMFFZOLUDJ-KRWDZBQOSA-N
Formula
C23H26ClNO6
Mass
447.91
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
Coumarans Benzoic acids Benzofurans Phenoxy compounds Methoxybenzenes Anisoles Benzoyl derivatives Alkyl aryl ethers Aralkylamines Piperidines Aryl chlorides Trialkylamines Secondary alcohols 1,2-aminoalcohols Amino acids Oxacyclic compounds Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Organochlorides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
P-methoxybenzoic acid or derivatives - Benzofuran - Benzoic acid - Coumaran - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Methoxybenzene - Alkyl aryl ether - Aralkylamine - Aryl chloride - Aryl halide - Piperidine - Tertiary aliphatic amine - Tertiary amine - 1,2-aminoalcohol - Amino acid - Amino acid or derivatives - Secondary alcohol - Organoheterocyclic compound - Oxacycle - Azacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organochloride - Aromatic heteropolycyclic 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