2-(1,3-benzodioxol-5-ylmethyl)-4-(4-imidazol-1-ylphenoxy)-5-phenylmethoxy-pyrimidine

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-(4-imidazol-1-ylphenoxy)-5-phenylmethoxy-pyrimidine Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)-5-benzyloxy-4-(4-imidazol-1-ylphenoxy)pyrimidine CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-[4-(1-imidazolyl)phenoxy]-5-phenylmethoxypyrimidine IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-(4-imidazol-1-ylphenoxy)-5-phenylmethoxypyrimidine Traditional Name: 5-benzoxy-4-(4-imidazol-1-ylphenoxy)-2-piperonyl-pyrimidine Formula: C28H22N4O4 MolecularWeight: 478.49868

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CC3=NC=C(C(=N3)OC4=CC=C(C=C4)N5C=CN=C5)OCC6=CC=CC=C6

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CC3=NC=C(C(=N3)OC4=CC=C(C=C4)N5C=CN=C5)OCC6=CC=CC=C6

InChI

InChI=1S/C28H22N4O4/c1-2-4-20(5-3-1)17-33-26-16-30-27(15-21-6-11-24-25(14-21)35-19-34-24)31-28(26)36-23-9-7-22(8-10-23)32-13-12-29-18-32/h1-14,16,18H,15,17,19H2