2-(4-octoxyphenyl)-5-[3,3,3-tris(fluoranyl)-2-pentoxy-propoxy]pyrimidine

Systemtic Name: 2-(4-octoxyphenyl)-5-[3,3,3-tris(fluoranyl)-2-pentoxy-propoxy]pyrimidine Openeye Name: 2-(4-octoxyphenyl)-5-(3,3,3-trifluoro-2-pentoxy-propoxy)pyrimidine CAS Name: 2-(4-octoxyphenyl)-5-(3,3,3-trifluoro-2-pentoxypropoxy)pyrimidine IUPAC Name: 2-(4-octoxyphenyl)-5-(3,3,3-trifluoro-2-pentoxypropoxy)pyrimidine Traditional Name: 5-(2-amoxy-3,3,3-trifluoro-propoxy)-2-(4-octoxyphenyl)pyrimidine Formula: C26H37F3N2O3 MolecularWeight: 482.57879

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)OCC(C(F)(F)F)OCCCCC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)OCC(C(F)(F)F)OCCCCC

InChI

InChI=1S/C26H37F3N2O3/c1-3-5-7-8-9-11-16-32-22-14-12-21(13-15-22)25-30-18-23(19-31-25)34-20-24(26(27,28)29)33-17-10-6-4-2/h12-15,18-19,24H,3-11,16-17,20H2,1-2H3