(RS)-4-{5-[3-(2-carboxyethyl)benzyloxy]-2-cyano-phenoxy}-4-(2-methylphenyl)butanoic acid

HCID 22010436
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Basic information

Standard SMILES
Cc1ccccc1C(CCC(=O)O)Oc1cc(OCc2cccc(CCC(=O)O)c2)ccc1C#N
InChIKey
GOCVCEKHWAUYAS-UHFFFAOYSA-N
Molecular formula
C28H27NO6
Average molar mass
473.5 g/mol

Names & identifiers

Preferred name
(RS)-4-{5-[3-(2-carboxyethyl)benzyloxy]-2-cyano-phenoxy}-4-(2-methylphenyl)butanoic acid
IUPAC
4-[5-[[3-(2-carboxyethyl)phenyl]methoxy]-2-cyanophenoxy]-4-(2-methylphenyl)butanoic acid

Names & synonyms

SCHEMBL7900832GOCVCEKHWAUYAS-UHFFFAOYSA-N(RS)-4-{5-[3-(2-carboxyethyl)benzyloxy]-2-cyano-phenoxy}-4-(2-methylphenyl)butanoic acid

Database identifiers

PubChem CID
22010436

Properties

Computed structural properties

XLogP
4.6
Topological polar surface area
117 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
12
Heavy atoms
35

Related reactions

1 records
New reaction record

Compound notes

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