Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

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

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

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