[2-(4-octoxyphenyl)pyrimidin-5-yl] (E)-oct-4-enoate

Systemtic Name: [2-(4-octoxyphenyl)pyrimidin-5-yl] (E)-oct-4-enoate Openeye Name: [2-(4-octoxyphenyl)pyrimidin-5-yl] (E)-oct-4-enoate CAS Name: (E)-4-octenoic acid [2-(4-octoxyphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-octoxyphenyl)pyrimidin-5-yl] (E)-oct-4-enoate Traditional Name: (E)-oct-4-enoic acid [2-(4-octoxyphenyl)pyrimidin-5-yl] ester Formula: C26H36N2O3 MolecularWeight: 424.57564

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)CCC=CCCC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)CC/C=C/CCC

InChI

InChI=1S/C26H36N2O3/c1-3-5-7-9-11-13-19-30-23-17-15-22(16-18-23)26-27-20-24(21-28-26)31-25(29)14-12-10-8-6-4-2/h8,10,15-18,20-21H,3-7,9,11-14,19H2,1-2H3/b10-8+