3-[4-[[3-[Isobutyl(phenyl)amino]benzyl]oxy]phenyl]propanoic acid

HCID 57541836
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Basic information

Standard SMILES
CC(C)CN(c1ccccc1)c1cccc(COc2ccc(CCC(=O)O)cc2)c1
InChIKey
COHSLTYDNWYFIF-UHFFFAOYSA-N
Molecular formula
C26H29NO3
Average molar mass
403.5 g/mol
Monoisotopic mass
403.21474379

Names & identifiers

Preferred name
3-[4-[[3-[Isobutyl(phenyl)amino]benzyl]oxy]phenyl]propanoic acid
IUPAC
3-[4-[[3-[N-(2-methylpropyl)anilino]phenyl]methoxy]phenyl]propanoic acid

Names & synonyms

SCHEMBL1747028COHSLTYDNWYFIF-UHFFFAOYSA-N3-[4-[[3-[isobutyl(phenyl)amino]benzyl]oxy]phenyl]propanoic acid

Database identifiers

PubChem CID
57541836

Properties

Computed structural properties

XLogP
6.2
Topological polar surface area
49.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
10
Heavy atoms
30

Related reactions

1 records
New reaction record

Linked notes

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3-[4-[[3-[Isobutyl(phenyl)amino]benzyl]oxy]phenyl]propanoic acid (HCID 57541836)｜Huagongshe