Compound Identification
SMILES
COC1=C(OC)C=C(CCNC(=S)N2CCC(CC2)C2CCN(CC2)C(=O)C=CC2=CC(=CC=C2)C(F)(F)F)C=C1
InChIKey
InChIKey=NGVYZLQWSGFFKH-UHFFFAOYSA-N
Formula
C31H38F3N3O3S
Mass
589.72
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
Trifluoromethylbenzenes Dimethoxybenzenes N-acylpiperidines Styrenes Phenoxy compounds Anisoles Alkyl aryl ethers Tertiary carboxylic acid amides Thioureas Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organofluorides Alkyl fluorides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid or derivatives - Dimethoxybenzene - Trifluoromethylbenzene - O-dimethoxybenzene - N-acyl-piperidine - Anisole - Phenoxy compound - Phenol ether - Styrene - Methoxybenzene - Alkyl aryl ether - Benzenoid - Piperidine - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Thiourea - Carboxamide group - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Ether - Hydrocarbon derivative - Organohalogen compound - Alkyl fluoride - Organofluoride - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Organic oxygen compound - Organic oxide - Alkyl halide - Aromatic heteromonocyclic 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