Compound Identification
SMILES
COC1=C(C=CC(C)=C1)N(CCN1C(=O)C2=CC=CC3=C(Br)C=CC(C1=O)=C23)C(=O)C=CC1=CC=CC=C1
InChIKey
InChIKey=SGAWRHHJFMEXJE-UHFFFAOYSA-N
Formula
C31H25BrN2O4
Mass
569.455
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Cinnamic acids and derivatives
Alternative Parents
Isoquinolones and derivatives Naphthalenes Anilides Methoxyanilines Styrenes Phenoxy compounds Anisoles Methoxybenzenes Toluenes Alkyl aryl ethers N-substituted carboxylic acid imides Aryl bromides Tertiary carboxylic acid amides Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives Organic oxides Organobromides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid or derivatives - Isoquinolone - Naphthalene - Methoxyaniline - Anilide - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Styrene - Alkyl aryl ether - Toluene - Aryl bromide - Carboxylic acid imide, n-substituted - Aryl halide - Benzenoid - Monocyclic benzene moiety - Carboxylic acid imide - Tertiary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cinnamic acids and derivatives. These are organic aromatic compounds containing a benzene and a carboxylic acid group (or a derivative thereof) forming 3-phenylprop-2-enoic acid.
External Descriptors
Not available