3-(3-[(5-Butyl-2-pyridyl)methoxy]methyl-4-methoxyphenyl)-2-isopropoxypropanoic acid

HCID 22494101
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Basic information

Standard SMILES
CCCCc1ccc(COCc2cc(CC(OC(C)C)C(=O)O)ccc2OC)nc1
InChIKey
VGJGXUOSLQGCFD-UHFFFAOYSA-N
Molecular formula
C24H33NO5
Average molar mass
415.5 g/mol
Monoisotopic mass
415.23587315

Names & identifiers

Preferred name
3-(3-[(5-Butyl-2-pyridyl)methoxy]methyl-4-methoxyphenyl)-2-isopropoxypropanoic acid
IUPAC
3-[3-[(5-butyl-2-pyridinyl)methoxymethyl]-4-methoxyphenyl]-2-propan-2-yloxypropanoic acid

Names & synonyms

SCHEMBL6498710VGJGXUOSLQGCFD-UHFFFAOYSA-N3-(3-[(5-butyl-2-pyridyl)methoxy]methyl-4-methoxyphenyl)-2-isopropoxypropanoic acid

Database identifiers

PubChem CID
22494101

Properties

Computed structural properties

XLogP
4.4
Topological polar surface area
77.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
13
Heavy atoms
30

Related reactions

2 records
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Compound notes

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