4-[2-Cyano-5-(3-thienylmethoxy)phenoxy]-4-(2-methylphenyl)butanoic acid

HCID 22010244
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Basic information

Standard SMILES
Cc1ccccc1C(CCC(=O)O)Oc1cc(OCc2ccsc2)ccc1C#N
InChIKey
ARDXPWJWTGZJGO-UHFFFAOYSA-N
Molecular formula
C23H21NO4S
Average molar mass
407.5 g/mol

Names & identifiers

Preferred name
4-[2-Cyano-5-(3-thienylmethoxy)phenoxy]-4-(2-methylphenyl)butanoic acid
IUPAC
4-[2-cyano-5-(thiophen-3-ylmethoxy)phenoxy]-4-(2-methylphenyl)butanoic acid

Names & synonyms

CHEMBL90320SCHEMBL7900891ARDXPWJWTGZJGO-UHFFFAOYSA-NBDBM50065518L0143284-[2-cyano-5-(3-thienylmethoxy)phenoxy]-4-(2-methylphenyl)butanoic acid4-[2-Cyano-5-(thiophen-3-ylmethoxy)-phenoxy]-4-o-tolyl-butyric acid

Database identifiers

PubChem CID
22010244
ChEMBL
CHEMBL90320
Nikkaji
J1.013.460I

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
108 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
9
Heavy atoms
29

Related reactions

2 records
New reaction record

Compound notes

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