2-[4-(3-fluoranyloctoxy)phenyl]-5-nonyl-pyrimidine

Systemtic Name: 2-[4-(3-fluoranyloctoxy)phenyl]-5-nonyl-pyrimidine Openeye Name: 2-[4-(3-fluorooctoxy)phenyl]-5-nonyl-pyrimidine CAS Name: 2-[4-(3-fluorooctoxy)phenyl]-5-nonylpyrimidine IUPAC Name: 2-[4-(3-fluorooctoxy)phenyl]-5-nonylpyrimidine Traditional Name: 2-[4-(3-fluorooctoxy)phenyl]-5-nonyl-pyrimidine Formula: C27H41FN2O MolecularWeight: 428.625643

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCCC(CCCCC)F

Isomeric SMILES

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCCC(CCCCC)F

InChI

InChI=1S/C27H41FN2O/c1-3-5-7-8-9-10-12-13-23-21-29-27(30-22-23)24-15-17-26(18-16-24)31-20-19-25(28)14-11-6-4-2/h15-18,21-22,25H,3-14,19-20H2,1-2H3