(3-octoxyphenyl) 4-(1,3-benzoxazol-2-yloxy)benzoate

Systemtic Name: (3-octoxyphenyl) 4-(1,3-benzoxazol-2-yloxy)benzoate Openeye Name: (3-octoxyphenyl) 4-(1,3-benzoxazol-2-yloxy)benzoate CAS Name: 4-(1,3-benzoxazol-2-yloxy)benzoic acid (3-octoxyphenyl) ester IUPAC Name: (3-octoxyphenyl) 4-(1,3-benzoxazol-2-yloxy)benzoate Traditional Name: 4-(1,3-benzoxazol-2-yloxy)benzoic acid (3-octoxyphenyl) ester Formula: C28H29NO5 MolecularWeight: 459.53356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=CC(=C1)OC(=O)C2=CC=C(C=C2)OC3=NC4=CC=CC=C4O3

Isomeric SMILES

CCCCCCCCOC1=CC=CC(=C1)OC(=O)C2=CC=C(C=C2)OC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C28H29NO5/c1-2-3-4-5-6-9-19-31-23-11-10-12-24(20-23)32-27(30)21-15-17-22(18-16-21)33-28-29-25-13-7-8-14-26(25)34-28/h7-8,10-18,20H,2-6,9,19H2,1H3