Compound Identification
SMILES
CCC(CC)NC1=NC(C)=C(N=C1OC)C1=C(OC)C=C(C=C1OC)C(=O)OC
InChIKey
InChIKey=SPRPOADCMDKILC-UHFFFAOYSA-N
Formula
C21H29N3O5
Mass
403.479
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
M-methoxybenzoic acids and derivatives
Alternative Parents
Dimethoxybenzenes Benzoic acid esters Phenoxy compounds Methoxypyrazines Benzoyl derivatives Anisoles Aminopyrazines Alkyl aryl ethers Imidolactams Methyl esters Heteroaromatic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
M-methoxybenzoic acid or derivatives - Benzoate ester - Dimethoxybenzene - M-dimethoxybenzene - Anisole - Benzoyl - Phenoxy compound - Methoxypyrazine - Phenol ether - Methoxybenzene - Alkyl aryl ether - Aminopyrazine - Imidolactam - Pyrazine - Methyl ester - Heteroaromatic compound - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Ether - Hydrocarbon derivative - Organonitrogen compound - Amine - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as m-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 3 of the benzene ring is replaced by a methoxy group.
External Descriptors
Not available