[4-(7-cyclopentylheptoxy)-3-phenyl-2-pyrimidin-5-yl-phenyl] 2-fluoranyl-2-methyl-octanoate

Systemtic Name: [4-(7-cyclopentylheptoxy)-3-phenyl-2-pyrimidin-5-yl-phenyl] 2-fluoranyl-2-methyl-octanoate Openeye Name: [4-(7-cyclopentylheptoxy)-3-phenyl-2-pyrimidin-5-yl-phenyl] 2-fluoro-2-methyl-octanoate CAS Name: 2-fluoro-2-methyloctanoic acid [4-(7-cyclopentylheptoxy)-3-phenyl-2-(5-pyrimidinyl)phenyl] ester IUPAC Name: [4-(7-cyclopentylheptoxy)-3-phenyl-2-pyrimidin-5-ylphenyl] 2-fluoro-2-methyloctanoate Traditional Name: 2-fluoro-2-methyl-caprylic acid [4-(7-cyclopentylheptoxy)-3-phenyl-2-(5-pyrimidyl)phenyl] ester Formula: C37H49FN2O3 MolecularWeight: 588.794963

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C(=O)OC1=C(C(=C(C=C1)OCCCCCCCC2CCCC2)C3=CC=CC=C3)C4=CN=CN=C4)F

Isomeric SMILES

CCCCCCC(C)(C(=O)OC1=C(C(=C(C=C1)OCCCCCCCC2CCCC2)C3=CC=CC=C3)C4=CN=CN=C4)F

InChI

InChI=1S/C37H49FN2O3/c1-3-4-5-15-24-37(2,38)36(41)43-33-23-22-32(42-25-16-8-6-7-10-17-29-18-13-14-19-29)34(30-20-11-9-12-21-30)35(33)31-26-39-28-40-27-31/h9,11-12,20-23,26-29H,3-8,10,13-19,24-25H2,1-2H3