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

Systemtic Name: (2S,3R)-5-oxidanyl-2,3-bis(4-phenylmethoxyphenyl)pentanenitrile Openeye Name: (2S,3R)-2,3-bis(4-benzyloxyphenyl)-5-hydroxy-pentanenitrile CAS Name: (2S,3R)-5-hydroxy-2,3-bis(4-phenylmethoxyphenyl)pentanenitrile IUPAC Name: (2S,3R)-5-hydroxy-2,3-bis(4-phenylmethoxyphenyl)pentanenitrile Traditional Name: (2S,3R)-2,3-bis(4-benzoxyphenyl)-5-hydroxy-valeronitrile Formula: C31H29NO3 MolecularWeight: 463.56686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C31H29NO3/c32-21-31(27-13-17-29(18-14-27)35-23-25-9-5-2-6-10-25)30(19-20-33)26-11-15-28(16-12-26)34-22-24-7-3-1-4-8-24/h1-18,30-31,33H,19-20,22-23H2/t30-,31+/m0/s1