Compound Identification
SMILES
COC1=CC=C(C=C1)C(=O)O[C@@H]1CCN2CC[C@H](C)[C@H]12
InChIKey
InChIKey=PIRUMYPCEYRZQG-NILFDRSVSA-N
Formula
C16H21NO3
Mass
275.348
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
Benzoic acid esters Pyrrolizidines Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Alkyl aryl ethers N-alkylpyrrolidines Trialkylamines Carboxylic acid esters Amino acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
P-methoxybenzoic acid or derivatives - Benzoate ester - Anisole - Benzoyl - Phenoxy compound - Phenol ether - Pyrrolizidine - Methoxybenzene - Alkyl aryl ether - N-alkylpyrrolidine - Pyrrolidine - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid ester - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Hydrocarbon derivative - Amine - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - 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