[4-(5-nonylpyrimidin-2-yl)phenyl] 2-fluoranyl-4-octoxy-benzoate

Systemtic Name: [4-(5-nonylpyrimidin-2-yl)phenyl] 2-fluoranyl-4-octoxy-benzoate Openeye Name: [4-(5-nonylpyrimidin-2-yl)phenyl] 2-fluoro-4-octoxy-benzoate CAS Name: 2-fluoro-4-octoxybenzoic acid [4-(5-nonyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-nonylpyrimidin-2-yl)phenyl] 2-fluoro-4-octoxybenzoate Traditional Name: 2-fluoro-4-octoxy-benzoic acid [4-(5-nonylpyrimidin-2-yl)phenyl] ester Formula: C34H45FN2O3 MolecularWeight: 548.731103

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=C(C=C(C=C3)OCCCCCCCC)F

Isomeric SMILES

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=C(C=C(C=C3)OCCCCCCCC)F

InChI

InChI=1S/C34H45FN2O3/c1-3-5-7-9-11-12-14-16-27-25-36-33(37-26-27)28-17-19-29(20-18-28)40-34(38)31-22-21-30(24-32(31)35)39-23-15-13-10-8-6-4-2/h17-22,24-26H,3-16,23H2,1-2H3