Structure Information
Structure

Compound Identification

SMILES

COC1=C(OC)C=C(CCN2CC(C)(O)C(CNC3=CC=CC=C3)C2=O)C=C1

InChIKey

InChIKey=VHFOJJRZJTZIPD-UHFFFAOYSA-N

Formula

C22H28N2O4

Mass

384.476

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Subclass

Amino acids, peptides, and analogues

Intermediate Tree Nodes

Amino acids and derivatives

Direct Parent

Beta amino acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Beta amino acid or derivatives - O-dimethoxybenzene - Dimethoxybenzene - Anisole - Phenoxy compound - Phenol ether - Aniline or substituted anilines - Phenylalkylamine - Methoxybenzene - Alkyl aryl ether - Secondary aliphatic/aromatic amine - Benzenoid - N-alkylpyrrolidine - 2-pyrrolidone - Pyrrolidone - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Tertiary alcohol - Pyrrolidine - Carboxamide group - Lactam - Organoheterocyclic compound - Secondary amine - Azacycle - Ether - Alcohol - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Amine - Hydrocarbon derivative - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.

External Descriptors

Not available

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