Methyl 4-[2-[2-(4-cyanophenyl)ethyl]-4-(2-hydroxyphenyl)but-3-enyl]benzoate

HCID 67353032
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Basic information

Standard SMILES
COC(=O)c1ccc(CC(C=Cc2ccccc2O)CCc2ccc(C#N)cc2)cc1
InChIKey
DMOYAPRJXHVRBQ-UHFFFAOYSA-N
Molecular formula
C27H25NO3
Average molar mass
411.5 g/mol

Names & identifiers

Preferred name
Methyl 4-[2-[2-(4-cyanophenyl)ethyl]-4-(2-hydroxyphenyl)but-3-enyl]benzoate
IUPAC
methyl 4-[2-[2-(4-cyanophenyl)ethyl]-4-(2-hydroxyphenyl)but-3-enyl]benzoate

Names & synonyms

SCHEMBL2295663

Database identifiers

PubChem CID
67353032

Properties

Computed structural properties

XLogP
6.3
Topological polar surface area
70.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
9
Heavy atoms
31

Related reactions

13 records
New reaction record

Compound notes

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