2-[6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]-1,3-benzoxazol-2-yl]ethanenitrile

Systemtic Name: 2-[6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]-1,3-benzoxazol-2-yl]ethanenitrile Openeye Name: 2-[6-[[4-(2-quinolylmethoxy)phenoxy]methyl]-1,3-benzoxazol-2-yl]acetonitrile CAS Name: 2-[6-[[4-(2-quinolinylmethoxy)phenoxy]methyl]-1,3-benzoxazol-2-yl]acetonitrile IUPAC Name: 2-[6-[[4-(quinolin-2-ylmethoxy)phenoxy]methyl]-1,3-benzoxazol-2-yl]acetonitrile Traditional Name: 2-[6-[[4-(2-quinolylmethoxy)phenoxy]methyl]-1,3-benzoxazol-2-yl]acetonitrile Formula: C26H19N3O3 MolecularWeight: 421.44736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)COC3=CC=C(C=C3)OCC4=CC5=C(C=C4)N=C(O5)CC#N

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)COC3=CC=C(C=C3)OCC4=CC5=C(C=C4)N=C(O5)CC#N

InChI

InChI=1S/C26H19N3O3/c27-14-13-26-29-24-12-5-18(15-25(24)32-26)16-30-21-8-10-22(11-9-21)31-17-20-7-6-19-3-1-2-4-23(19)28-20/h1-12,15H,13,16-17H2