N-[2-(cyanomethyl)-1,3-benzoxazol-5-yl]-2-(3-pentadecylphenoxy)ethanamide

Systemtic Name: N-[2-(cyanomethyl)-1,3-benzoxazol-5-yl]-2-(3-pentadecylphenoxy)ethanamide Openeye Name: N-[2-(cyanomethyl)-1,3-benzoxazol-5-yl]-2-(3-pentadecylphenoxy)acetamide CAS Name: N-[2-(cyanomethyl)-1,3-benzoxazol-5-yl]-2-(3-pentadecylphenoxy)acetamide IUPAC Name: N-[2-(cyanomethyl)-1,3-benzoxazol-5-yl]-2-(3-pentadecylphenoxy)acetamide Traditional Name: N-[2-(cyanomethyl)-1,3-benzoxazol-5-yl]-2-(3-pentadecylphenoxy)acetamide Formula: C32H43N3O3 MolecularWeight: 517.70212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=CC(=CC=C1)OCC(=O)NC2=CC3=C(C=C2)OC(=N3)CC#N

Isomeric SMILES

CCCCCCCCCCCCCCCC1=CC(=CC=C1)OCC(=O)NC2=CC3=C(C=C2)OC(=N3)CC#N

InChI

InChI=1S/C32H43N3O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-26-17-15-18-28(23-26)37-25-31(36)34-27-19-20-30-29(24-27)35-32(38-30)21-22-33/h15,17-20,23-24H,2-14,16,21,25H2,1H3,(H,34,36)