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

Systemtic Name: [4-(5-octoxypyrimidin-2-yl)phenyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [4-(5-octoxypyrimidin-2-yl)phenyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [4-(5-octoxy-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-octoxypyrimidin-2-yl)phenyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [4-(5-octoxypyrimidin-2-yl)phenyl] ester Formula: C26H28N2O5 MolecularWeight: 448.51092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C26H28N2O5/c1-2-3-4-5-6-7-14-30-22-16-27-25(28-17-22)19-8-11-21(12-9-19)33-26(29)20-10-13-23-24(15-20)32-18-31-23/h8-13,15-17H,2-7,14,18H2,1H3