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
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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Subclass
Amino acids, peptides, and analogues
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Level 5
Amino acids and derivatives
- Level 6 Beta amino acids and derivatives
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Level 5
Amino acids and derivatives
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Subclass
Amino acids, peptides, and analogues
-
Class
Carboxylic acids and derivatives
-
Superclass
Organic acids and derivatives
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
Dimethoxybenzenes Aniline and substituted anilines Anisoles Phenylalkylamines Phenoxy compounds Alkyl aryl ethers Secondary alkylarylamines Pyrrolidine-2-ones N-alkylpyrrolidines Tertiary carboxylic acid amides Tertiary alcohols Lactams Azacyclic compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds
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