Compound Identification
SMILES
COC1=CC(OCCN2CCC(CC2)C2=CN(CC3=CC=C(Cl)S3)C3=C2C=CN=C3)=C(C=C1)C(O)=O
InChIKey
InChIKey=OQTJVYQNOSWYDE-UHFFFAOYSA-N
Formula
C27H28ClN3O4S
Mass
526.05
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
Pyrrolopyridines Benzoic acids Anisoles Phenoxy compounds Benzoyl derivatives Methoxybenzenes 2,5-disubstituted thiophenes Alkyl aryl ethers Aralkylamines Substituted pyrroles Pyridines and derivatives Piperidines Aryl chlorides Heteroaromatic compounds Trialkylamines Amino acids Azacyclic compounds Carboxylic acids Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
P-methoxybenzoic acid or derivatives - Benzoic acid - Pyrrolopyridine - Phenoxy compound - Anisole - Benzoyl - Phenol ether - Methoxybenzene - Alkyl aryl ether - Aralkylamine - 2,5-disubstituted thiophene - Aryl chloride - Aryl halide - Piperidine - Pyridine - Substituted pyrrole - Pyrrole - Heteroaromatic compound - Thiophene - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Amino acid - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Carboxylic acid - Organic oxygen compound - Organohalogen compound - Organochloride - Organic oxide - Amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - 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