(2S)-2-Methoxy-3-{4-[3-(4-oxo-2-phenyl-chroman-6-yloxy)-propoxy]-phenyl}-propionic acid

HCID 58822982
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CO[C@@H](Cc1ccc(OCCCOc2ccc3c(c2)C(=O)CC(c2ccccc2)O3)cc1)C(=O)O
InChIKey
UIQXCQNXLAGBSQ-GEVKEYJPSA-N
Molecular formula
C28H28O7
Average molar mass
476.5 g/mol

Names & identifiers

Preferred name
(2S)-2-Methoxy-3-{4-[3-(4-oxo-2-phenyl-chroman-6-yloxy)-propoxy]-phenyl}-propionic acid
IUPAC
(2S)-2-methoxy-3-[4-[3-[(4-oxo-2-phenyl-2,3-dihydrochromen-6-yl)oxy]propoxy]phenyl]propanoic acid

Names & synonyms

SCHEMBL5375190SCHEMBL14366407UIQXCQNXLAGBSQ-GEVKEYJPSA-N(2S)-2-Methoxy-3-{4-[3-(4-oxo-2-phenyl-chroman-6-yloxy)-propoxy]-phenyl}-propionic acid

Database identifiers

PubChem CID
58822982

Properties

Computed structural properties

XLogP
4.6
Topological polar surface area
91.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
11
Heavy atoms
35

Related reactions

2 records
New reaction record

Compound notes

Loading…