[4-(5-octylpyrimidin-2-yl)phenyl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [4-(5-octylpyrimidin-2-yl)phenyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [4-(5-octylpyrimidin-2-yl)phenyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [4-(5-octyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-octylpyrimidin-2-yl)phenyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [4-(5-octylpyrimidin-2-yl)phenyl] ester Formula: C26H28N2O4 MolecularWeight: 432.51152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C26H28N2O4/c1-2-3-4-5-6-7-8-19-16-27-25(28-17-19)20-9-12-22(13-10-20)32-26(29)21-11-14-23-24(15-21)31-18-30-23/h9-17H,2-8,18H2,1H3