(2S,3R)-5-fluoranyl-2,3-bis(4-phenylmethoxyphenyl)pentanenitrile

Systemtic Name: (2S,3R)-5-fluoranyl-2,3-bis(4-phenylmethoxyphenyl)pentanenitrile Openeye Name: (2S,3R)-2,3-bis(4-benzyloxyphenyl)-5-fluoro-pentanenitrile CAS Name: (2S,3R)-5-fluoro-2,3-bis(4-phenylmethoxyphenyl)pentanenitrile IUPAC Name: (2S,3R)-5-fluoro-2,3-bis(4-phenylmethoxyphenyl)pentanenitrile Traditional Name: (2S,3R)-2,3-bis(4-benzoxyphenyl)-5-fluoro-valeronitrile Formula: C31H28FNO2 MolecularWeight: 465.557923

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)C(CCF)C(C#N)C3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)[C@H](CCF)[C@H](C#N)C3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C31H28FNO2/c32-20-19-30(26-11-15-28(16-12-26)34-22-24-7-3-1-4-8-24)31(21-33)27-13-17-29(18-14-27)35-23-25-9-5-2-6-10-25/h1-18,30-31H,19-20,22-23H2/t30-,31+/m0/s1