(RS)-(4-cyano-phenylamino)-(5-ethoxy-2-fluoro-3-hydroxy-phenyl)-acetic acid ethyl ester

HCID 69924374
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Basic information

Standard SMILES
CCOC(=O)C(Nc1ccc(C#N)cc1)c1cc(OCC)cc(O)c1F
InChIKey
QBKJFSAUPRFYJQ-UHFFFAOYSA-N
Molecular formula
C19H19FN2O4
Average molar mass
358.4 g/mol

Names & identifiers

Preferred name
(RS)-(4-cyano-phenylamino)-(5-ethoxy-2-fluoro-3-hydroxy-phenyl)-acetic acid ethyl ester
IUPAC
ethyl 2-(4-cyanoanilino)-2-(5-ethoxy-2-fluoro-3-hydroxyphenyl)acetate

Names & synonyms

SCHEMBL6876129QBKJFSAUPRFYJQ-UHFFFAOYSA-N(RS)-(4-cyano-phenylamino)-(5-ethoxy-2-fluoro-3-hydroxy-phenyl)-acetic acid ethyl ester

Database identifiers

PubChem CID
69924374

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
91.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
8
Heavy atoms
26

Related reactions

11 records
New reaction record

Compound notes

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