Methyl 3-(4-{[2'-methyl-4'-(3-(pyridin-2-yl)propoxy)biphenyl-3-yl]methoxy}phenyl)propanoate

HCID 58903135
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Basic information

Standard SMILES
COC(=O)CCc1ccc(OCc2cccc(-c3ccc(OCCCc4ccccn4)cc3C)c2)cc1
InChIKey
WWZXDQMLKOEHSI-UHFFFAOYSA-N
Molecular formula
C32H33NO4
Average molar mass
495.6 g/mol
Monoisotopic mass
495.24095853

Names & identifiers

Preferred name
Methyl 3-(4-{[2'-methyl-4'-(3-(pyridin-2-yl)propoxy)biphenyl-3-yl]methoxy}phenyl)propanoate
IUPAC
methyl 3-[4-[[3-[2-methyl-4-(3-pyridin-2-ylpropoxy)phenyl]phenyl]methoxy]phenyl]propanoate

Names & synonyms

SCHEMBL5108383WWZXDQMLKOEHSI-UHFFFAOYSA-Nmethyl 3-(4-{[2'-methyl-4'-(3-(pyridin-2-yl)propoxy)biphenyl-3-yl]methoxy}phenyl)propanoate

Database identifiers

PubChem CID
58903135

Properties

Computed structural properties

XLogP
6.7
Topological polar surface area
57.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
13
Heavy atoms
37

Related reactions

4 records
New reaction record

Linked notes

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