(2S,3R)-5-fluoranyl-2,3-bis[4-(2-methoxyethoxymethoxy)phenyl]pentanenitrile

Systemtic Name: (2S,3R)-5-fluoranyl-2,3-bis[4-(2-methoxyethoxymethoxy)phenyl]pentanenitrile Openeye Name: (2S,3R)-5-fluoranyl-2,3-bis[4-(2-methoxyethoxymethoxy)phenyl]pentanenitrile CAS Name: (2S,3R)-5-fluoranyl-2,3-bis[4-(2-methoxyethoxymethoxy)phenyl]pentanenitrile IUPAC Name: (2S,3R)-5-fluoranyl-2,3-bis[4-(2-methoxyethoxymethoxy)phenyl]pentanenitrile Traditional Name: (2S,3R)-5-fluoranyl-2,3-bis[4-(2-methoxyethoxymethoxy)phenyl]valeronitrile Formula: C25H32FNO6 MolecularWeight: 460.525618

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Descriptors Computed from Structure

Canonical SMILES:

COCCOCOC1=CC=C(C=C1)C(CCF)C(C#N)C2=CC=C(C=C2)OCOCCOC

Isomeric SMILES

COCCOCOC1=CC=C(C=C1)[C@H](CC[18F])[C@H](C#N)C2=CC=C(C=C2)OCOCCOC

InChI

InChI=1S/C25H32FNO6/c1-28-13-15-30-18-32-22-7-3-20(4-8-22)24(11-12-26)25(17-27)21-5-9-23(10-6-21)33-19-31-16-14-29-2/h3-10,24-25H,11-16,18-19H2,1-2H3/t24-,25+/m0/s1/i26-1