(RS)-4-(benzo[1,3]dioxol-4-yl)-4-[2-cyano-5-(3-pyridylmethoxy)phenoxy]butanoic acid

HCID 22010433
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Basic information

Standard SMILES
N#Cc1ccc(OCc2cccnc2)cc1OC(CCC(=O)O)c1cccc2c1OCO2
InChIKey
RJNSURWFDKYYFT-UHFFFAOYSA-N
Molecular formula
C24H20N2O6
Average molar mass
432.4 g/mol

Names & identifiers

Preferred name
(RS)-4-(benzo[1,3]dioxol-4-yl)-4-[2-cyano-5-(3-pyridylmethoxy)phenoxy]butanoic acid
IUPAC
4-(1,3-benzodioxol-4-yl)-4-[2-cyano-5-(pyridin-3-ylmethoxy)phenoxy]butanoic acid

Names & synonyms

SCHEMBL7908529RJNSURWFDKYYFT-UHFFFAOYSA-N(RS)-4-(benzo[1,3]dioxol-4-yl)-4-[2-cyano-5-(3-pyridylmethoxy)phenoxy]butanoic acid

Database identifiers

PubChem CID
22010433

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
111 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
9
Heavy atoms
32

Related reactions

1 records
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Compound notes

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