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

Systemtic Name: 5-[2-butoxy-3,3,3-tris(fluoranyl)propoxy]-2-(4-octoxyphenyl)pyrimidine Openeye Name: 5-(2-butoxy-3,3,3-trifluoro-propoxy)-2-(4-octoxyphenyl)pyrimidine CAS Name: 5-(2-butoxy-3,3,3-trifluoropropoxy)-2-(4-octoxyphenyl)pyrimidine IUPAC Name: 5-(2-butoxy-3,3,3-trifluoropropoxy)-2-(4-octoxyphenyl)pyrimidine Traditional Name: 5-(2-butoxy-3,3,3-trifluoro-propoxy)-2-(4-octoxyphenyl)pyrimidine Formula: C25H35F3N2O3 MolecularWeight: 468.55221

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H35F3N2O3/c1-3-5-7-8-9-10-16-31-21-13-11-20(12-14-21)24-29-17-22(18-30-24)33-19-23(25(26,27)28)32-15-6-4-2/h11-14,17-18,23H,3-10,15-16,19H2,1-2H3