(E,E)-2-(Benzylaminocarbonyl)-3-(3,4-dimethoxystyryl)acrylonitrile

HCID 9902899
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Basic information

Standard SMILES
COc1ccc(/C=C/C=C(\C#N)C(=O)NCc2ccccc2)cc1OC
InChIKey
LCRFUXKIGORYLH-XICJKMHVSA-N
Molecular formula
C21H20N2O3
Average molar mass
348.4 g/mol

Names & identifiers

Preferred name
(E,E)-2-(Benzylaminocarbonyl)-3-(3,4-dimethoxystyryl)acrylonitrile
IUPAC
(2E,4E)-N-benzyl-2-cyano-5-(3,4-dimethoxyphenyl)penta-2,4-dienamide

Names & synonyms

SCHEMBL4484514LCRFUXKIGORYLH-XICJKMHVSA-N(E,E)-2-(Benzylaminocarbonyl)-3-(3,4-dimethoxystyryl)acrylonitrile

Database identifiers

PubChem CID
9902899

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
71.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
7
Heavy atoms
26

Related reactions

2 records
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Compound notes

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