2-azanyl-5-[(1S,2R)-3-oxidanyl-1,2-bis(phenylmethoxy)propyl]-6-(phenylmethoxymethyl)pyridine-3-carbonitrile

Systemtic Name: 2-azanyl-5-[(1S,2R)-3-oxidanyl-1,2-bis(phenylmethoxy)propyl]-6-(phenylmethoxymethyl)pyridine-3-carbonitrile Openeye Name: 2-amino-6-(benzyloxymethyl)-5-[(1S,2R)-1,2-dibenzyloxy-3-hydroxy-propyl]pyridine-3-carbonitrile CAS Name: 2-amino-5-[(1S,2R)-3-hydroxy-1,2-bis(phenylmethoxy)propyl]-6-(phenylmethoxymethyl)-3-pyridinecarbonitrile IUPAC Name: 2-amino-5-[(1S,2R)-3-hydroxy-1,2-bis(phenylmethoxy)propyl]-6-(phenylmethoxymethyl)pyridine-3-carbonitrile Traditional Name: 2-amino-6-(benzoxymethyl)-5-[(1S,2R)-1,2-dibenzoxy-3-hydroxy-propyl]nicotinonitrile Formula: C31H31N3O4 MolecularWeight: 509.59554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC2=C(C=C(C(=N2)N)C#N)C(C(CO)OCC3=CC=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)COCC2=C(C=C(C(=N2)N)C#N)[C@@H]([C@@H](CO)OCC3=CC=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C31H31N3O4/c32-17-26-16-27(28(34-31(26)33)22-36-19-23-10-4-1-5-11-23)30(38-21-25-14-8-3-9-15-25)29(18-35)37-20-24-12-6-2-7-13-24/h1-16,29-30,35H,18-22H2,(H2,33,34)/t29-,30+/m1/s1