[2-(4-hexylphenyl)pyrimidin-5-yl] 2-fluoranyl-4-octoxy-benzoate

Systemtic Name: [2-(4-hexylphenyl)pyrimidin-5-yl] 2-fluoranyl-4-octoxy-benzoate Openeye Name: [2-(4-hexylphenyl)pyrimidin-5-yl] 2-fluoro-4-octoxy-benzoate CAS Name: 2-fluoro-4-octoxybenzoic acid [2-(4-hexylphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-hexylphenyl)pyrimidin-5-yl] 2-fluoro-4-octoxybenzoate Traditional Name: 2-fluoro-4-octoxy-benzoic acid [2-(4-hexylphenyl)pyrimidin-5-yl] ester Formula: C31H39FN2O3 MolecularWeight: 506.651363

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC(=C(C=C1)C(=O)OC2=CN=C(N=C2)C3=CC=C(C=C3)CCCCCC)F

Isomeric SMILES

CCCCCCCCOC1=CC(=C(C=C1)C(=O)OC2=CN=C(N=C2)C3=CC=C(C=C3)CCCCCC)F

InChI

InChI=1S/C31H39FN2O3/c1-3-5-7-9-10-12-20-36-26-18-19-28(29(32)21-26)31(35)37-27-22-33-30(34-23-27)25-16-14-24(15-17-25)13-11-8-6-4-2/h14-19,21-23H,3-13,20H2,1-2H3