2-[1-(3-fluoranylnonoxy)-4-phenyl-cyclohexa-2,5-dien-1-yl]-5-hexoxy-pyrimidine

Systemtic Name: 2-[1-(3-fluoranylnonoxy)-4-phenyl-cyclohexa-2,5-dien-1-yl]-5-hexoxy-pyrimidine Openeye Name: 2-[1-(3-fluorononoxy)-4-phenyl-cyclohexa-2,5-dien-1-yl]-5-hexoxy-pyrimidine CAS Name: 2-[1-(3-fluorononoxy)-4-phenyl-1-cyclohexa-2,5-dienyl]-5-hexoxypyrimidine IUPAC Name: 2-[1-(3-fluorononoxy)-4-phenylcyclohexa-2,5-dien-1-yl]-5-hexoxypyrimidine Traditional Name: 2-[1-(3-fluorononoxy)-4-phenyl-cyclohexa-2,5-dien-1-yl]-5-hexoxy-pyrimidine Formula: C31H43FN2O2 MolecularWeight: 494.683723

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCOC1(C=CC(C=C1)C2=CC=CC=C2)C3=NC=C(C=N3)OCCCCCC)F

Isomeric SMILES

CCCCCCC(CCOC1(C=CC(C=C1)C2=CC=CC=C2)C3=NC=C(C=N3)OCCCCCC)F

InChI

InChI=1S/C31H43FN2O2/c1-3-5-7-12-16-28(32)19-23-36-31(20-17-27(18-21-31)26-14-10-9-11-15-26)30-33-24-29(25-34-30)35-22-13-8-6-4-2/h9-11,14-15,17-18,20-21,24-25,27-28H,3-8,12-13,16,19,22-23H2,1-2H3