2-fluoranylhexyl 4-[4-(5-undecoxypyrimidin-2-yl)phenyl]benzoate

Systemtic Name: 2-fluoranylhexyl 4-[4-(5-undecoxypyrimidin-2-yl)phenyl]benzoate Openeye Name: 2-fluorohexyl 4-[4-(5-undecoxypyrimidin-2-yl)phenyl]benzoate CAS Name: 4-[4-(5-undecoxy-2-pyrimidinyl)phenyl]benzoic acid 2-fluorohexyl ester IUPAC Name: 2-fluorohexyl 4-[4-(5-undecoxypyrimidin-2-yl)phenyl]benzoate Traditional Name: 4-[4-(5-undecoxypyrimidin-2-yl)phenyl]benzoic acid 2-fluorohexyl ester Formula: C34H45FN2O3 MolecularWeight: 548.731103

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)OCC(CCCC)F

Isomeric SMILES

CCCCCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)OCC(CCCC)F

InChI

InChI=1S/C34H45FN2O3/c1-3-5-7-8-9-10-11-12-13-23-39-32-24-36-33(37-25-32)29-19-15-27(16-20-29)28-17-21-30(22-18-28)34(38)40-26-31(35)14-6-4-2/h15-22,24-25,31H,3-14,23,26H2,1-2H3