5-[4-(2-fluoranyl-4-methyl-pentoxy)phenyl]-2-(4-heptoxyphenyl)pyrimidine

Systemtic Name: 5-[4-(2-fluoranyl-4-methyl-pentoxy)phenyl]-2-(4-heptoxyphenyl)pyrimidine Openeye Name: 5-[4-(2-fluoro-4-methyl-pentoxy)phenyl]-2-(4-heptoxyphenyl)pyrimidine CAS Name: 5-[4-(2-fluoro-4-methylpentoxy)phenyl]-2-(4-heptoxyphenyl)pyrimidine IUPAC Name: 5-[4-(2-fluoro-4-methylpentoxy)phenyl]-2-(4-heptoxyphenyl)pyrimidine Traditional Name: 5-[4-(2-fluoro-4-methyl-pentoxy)phenyl]-2-(4-heptoxyphenyl)pyrimidine Formula: C29H37FN2O2 MolecularWeight: 464.614683

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OCC(CC(C)C)F

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OCC(CC(C)C)F

InChI

InChI=1S/C29H37FN2O2/c1-4-5-6-7-8-17-33-27-15-11-24(12-16-27)29-31-19-25(20-32-29)23-9-13-28(14-10-23)34-21-26(30)18-22(2)3/h9-16,19-20,22,26H,4-8,17-18,21H2,1-3H3