Methyl 4-[2-[2-(4-cyanophenyl)ethyl]-4-[2-[[4-(2-phenylethyl)phenyl]methoxy]phenyl]but-3-enyl]benzoate

HCID 68660596
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Basic information

Standard SMILES
COC(=O)c1ccc(CC(C=Cc2ccccc2OCc2ccc(CCc3ccccc3)cc2)CCc2ccc(C#N)cc2)cc1
InChIKey
CIJOUIZMJMFTFC-UHFFFAOYSA-N
Molecular formula
C42H39NO3
Average molar mass
605.8 g/mol

Names & identifiers

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

Names & synonyms

SCHEMBL3484276

Database identifiers

PubChem CID
68660596

Properties

Computed structural properties

XLogP
10.3
Topological polar surface area
59.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
15
Heavy atoms
46

Related reactions

1 records
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Compound notes

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