2-(4-dodecylphenyl)-5-[4-(2-fluoranyl-3-methyl-pentoxy)phenyl]pyrimidine

Systemtic Name: 2-(4-dodecylphenyl)-5-[4-(2-fluoranyl-3-methyl-pentoxy)phenyl]pyrimidine Openeye Name: 2-(4-dodecylphenyl)-5-[4-(2-fluoro-3-methyl-pentoxy)phenyl]pyrimidine CAS Name: 2-(4-dodecylphenyl)-5-[4-(2-fluoro-3-methylpentoxy)phenyl]pyrimidine IUPAC Name: 2-(4-dodecylphenyl)-5-[4-(2-fluoro-3-methylpentoxy)phenyl]pyrimidine Traditional Name: 5-[4-(2-fluoro-3-methyl-pentoxy)phenyl]-2-(4-laurylphenyl)pyrimidine Formula: C34H47FN2O MolecularWeight: 518.748183

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OCC(C(C)CC)F

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OCC(C(C)CC)F

InChI

InChI=1S/C34H47FN2O/c1-4-6-7-8-9-10-11-12-13-14-15-28-16-18-30(19-17-28)34-36-24-31(25-37-34)29-20-22-32(23-21-29)38-26-33(35)27(3)5-2/h16-25,27,33H,4-15,26H2,1-3H3