[4-(5-octylpyrimidin-2-yl)phenyl] 4-(2-fluoranyldecoxy)benzoate

Systemtic Name: [4-(5-octylpyrimidin-2-yl)phenyl] 4-(2-fluoranyldecoxy)benzoate Openeye Name: [4-(5-octylpyrimidin-2-yl)phenyl] 4-(2-fluorodecoxy)benzoate CAS Name: 4-(2-fluorodecoxy)benzoic acid [4-(5-octyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-octylpyrimidin-2-yl)phenyl] 4-(2-fluorodecoxy)benzoate Traditional Name: 4-(2-fluorodecoxy)benzoic acid [4-(5-octylpyrimidin-2-yl)phenyl] ester Formula: C35H47FN2O3 MolecularWeight: 562.757683

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)OCC(CCCCCCCC)F

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)OCC(CCCCCCCC)F

InChI

InChI=1S/C35H47FN2O3/c1-3-5-7-9-11-13-15-28-25-37-34(38-26-28)29-17-23-33(24-18-29)41-35(39)30-19-21-32(22-20-30)40-27-31(36)16-14-12-10-8-6-4-2/h17-26,31H,3-16,27H2,1-2H3