2-(3-fluoranyl-4-hexoxy-phenyl)-5-(4-heptylphenyl)pyrimidine

Systemtic Name: 2-(3-fluoranyl-4-hexoxy-phenyl)-5-(4-heptylphenyl)pyrimidine Openeye Name: 2-(3-fluoro-4-hexoxy-phenyl)-5-(4-heptylphenyl)pyrimidine CAS Name: 2-(3-fluoro-4-hexoxyphenyl)-5-(4-heptylphenyl)pyrimidine IUPAC Name: 2-(3-fluoro-4-hexoxyphenyl)-5-(4-heptylphenyl)pyrimidine Traditional Name: 2-(3-fluoro-4-hexoxy-phenyl)-5-(4-heptylphenyl)pyrimidine Formula: C29H37FN2O MolecularWeight: 448.615283

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC(=C(C=C3)OCCCCCC)F

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC(=C(C=C3)OCCCCCC)F

InChI

InChI=1S/C29H37FN2O/c1-3-5-7-9-10-12-23-13-15-24(16-14-23)26-21-31-29(32-22-26)25-17-18-28(27(30)20-25)33-19-11-8-6-4-2/h13-18,20-22H,3-12,19H2,1-2H3