2-(4-dodecoxyphenyl)-5-[4-(2-fluoranyl-3-methyl-butoxy)phenyl]pyrimidine

Systemtic Name: 2-(4-dodecoxyphenyl)-5-[4-(2-fluoranyl-3-methyl-butoxy)phenyl]pyrimidine Openeye Name: 2-(4-dodecoxyphenyl)-5-[4-(2-fluoro-3-methyl-butoxy)phenyl]pyrimidine CAS Name: 2-(4-dodecoxyphenyl)-5-[4-(2-fluoro-3-methylbutoxy)phenyl]pyrimidine IUPAC Name: 2-(4-dodecoxyphenyl)-5-[4-(2-fluoro-3-methylbutoxy)phenyl]pyrimidine Traditional Name: 5-[4-(2-fluoro-3-methyl-butoxy)phenyl]-2-(4-lauryloxyphenyl)pyrimidine Formula: C33H45FN2O2 MolecularWeight: 520.721003

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OCC(C(C)C)F

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OCC(C(C)C)F

InChI

InChI=1S/C33H45FN2O2/c1-4-5-6-7-8-9-10-11-12-13-22-37-30-20-16-28(17-21-30)33-35-23-29(24-36-33)27-14-18-31(19-15-27)38-25-32(34)26(2)3/h14-21,23-24,26,32H,4-13,22,25H2,1-3H3