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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H43N3O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-26-18-16-19-28(22-26)37-25-31(36)34-27-20-21-30-29(23-27)35-32(38-30)24-33-2/h16,18-23H,3-15,17,24-25H2,1H3,(H,34,36)