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

Systemtic Name: [5-(7-cyclopentylheptoxy)-2-pyrimidin-2-yl-phenyl] 2-fluoranyl-2-methyl-octanoate Openeye Name: [5-(7-cyclopentylheptoxy)-2-pyrimidin-2-yl-phenyl] 2-fluoro-2-methyl-octanoate CAS Name: 2-fluoro-2-methyloctanoic acid [5-(7-cyclopentylheptoxy)-2-(2-pyrimidinyl)phenyl] ester IUPAC Name: [5-(7-cyclopentylheptoxy)-2-pyrimidin-2-ylphenyl] 2-fluoro-2-methyloctanoate Traditional Name: 2-fluoro-2-methyl-caprylic acid [5-(7-cyclopentylheptoxy)-2-(2-pyrimidyl)phenyl] ester Formula: C31H45FN2O3 MolecularWeight: 512.699003

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C(=O)OC1=C(C=CC(=C1)OCCCCCCCC2CCCC2)C3=NC=CC=N3)F

Isomeric SMILES

CCCCCCC(C)(C(=O)OC1=C(C=CC(=C1)OCCCCCCCC2CCCC2)C3=NC=CC=N3)F

InChI

InChI=1S/C31H45FN2O3/c1-3-4-5-12-20-31(2,32)30(35)37-28-24-26(18-19-27(28)29-33-21-14-22-34-29)36-23-13-8-6-7-9-15-25-16-10-11-17-25/h14,18-19,21-22,24-25H,3-13,15-17,20,23H2,1-2H3