[2-[(2-cyano-1,3-benzoxazol-6-yl)oxymethyl]-4-(quinolin-2-ylmethoxy)phenyl] benzoate

Systemtic Name: [2-[(2-cyano-1,3-benzoxazol-6-yl)oxymethyl]-4-(quinolin-2-ylmethoxy)phenyl] benzoate Openeye Name: [2-[(2-cyano-1,3-benzoxazol-6-yl)oxymethyl]-4-(2-quinolylmethoxy)phenyl] benzoate CAS Name: benzoic acid [2-[(2-cyano-1,3-benzoxazol-6-yl)oxymethyl]-4-(2-quinolinylmethoxy)phenyl] ester IUPAC Name: [2-[(2-cyano-1,3-benzoxazol-6-yl)oxymethyl]-4-(quinolin-2-ylmethoxy)phenyl] benzoate Traditional Name: benzoic acid [2-[(2-cyano-1,3-benzoxazol-6-yl)oxymethyl]-4-(2-quinolylmethoxy)phenyl] ester Formula: C32H21N3O5 MolecularWeight: 527.52624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)COC5=CC6=C(C=C5)N=C(O6)C#N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)COC5=CC6=C(C=C5)N=C(O6)C#N

InChI

InChI=1S/C32H21N3O5/c33-18-31-35-28-14-12-26(17-30(28)39-31)37-19-23-16-25(13-15-29(23)40-32(36)22-7-2-1-3-8-22)38-20-24-11-10-21-6-4-5-9-27(21)34-24/h1-17H,19-20H2