2-azanyl-5-[(1R,2R,3R)-3-oxidanyl-1,2,4-tris(phenylmethoxy)butyl]pyridine-3-carbonitrile

Systemtic Name: 2-azanyl-5-[(1R,2R,3R)-3-oxidanyl-1,2,4-tris(phenylmethoxy)butyl]pyridine-3-carbonitrile Openeye Name: 2-amino-5-[(1R,2R,3R)-1,2,4-tribenzyloxy-3-hydroxy-butyl]pyridine-3-carbonitrile CAS Name: 2-amino-5-[(1R,2R,3R)-3-hydroxy-1,2,4-tris(phenylmethoxy)butyl]-3-pyridinecarbonitrile IUPAC Name: 2-amino-5-[(1R,2R,3R)-3-hydroxy-1,2,4-tris(phenylmethoxy)butyl]pyridine-3-carbonitrile Traditional Name: 2-amino-5-[(1R,2R,3R)-1,2,4-tribenzoxy-3-hydroxy-butyl]nicotinonitrile Formula: C31H31N3O4 MolecularWeight: 509.59554

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC(C(C(C2=CN=C(C(=C2)C#N)N)OCC3=CC=CC=C3)OCC4=CC=CC=C4)O

Isomeric SMILES

C1=CC=C(C=C1)COC[C@H]([C@H]([C@@H](C2=CN=C(C(=C2)C#N)N)OCC3=CC=CC=C3)OCC4=CC=CC=C4)O

InChI

InChI=1S/C31H31N3O4/c32-17-26-16-27(18-34-31(26)33)29(37-20-24-12-6-2-7-13-24)30(38-21-25-14-8-3-9-15-25)28(35)22-36-19-23-10-4-1-5-11-23/h1-16,18,28-30,35H,19-22H2,(H2,33,34)/t28-,29-,30-/m1/s1