[5-(8-cyclopentyloctyl)-2-pyrimidin-2-yl-phenyl] 2-fluoranyl-2-methyl-octanoate

Systemtic Name: [5-(8-cyclopentyloctyl)-2-pyrimidin-2-yl-phenyl] 2-fluoranyl-2-methyl-octanoate Openeye Name: [5-(8-cyclopentyloctyl)-2-pyrimidin-2-yl-phenyl] 2-fluoro-2-methyl-octanoate CAS Name: 2-fluoro-2-methyloctanoic acid [5-(8-cyclopentyloctyl)-2-(2-pyrimidinyl)phenyl] ester IUPAC Name: [5-(8-cyclopentyloctyl)-2-pyrimidin-2-ylphenyl] 2-fluoro-2-methyloctanoate Traditional Name: 2-fluoro-2-methyl-caprylic acid [5-(8-cyclopentyloctyl)-2-(2-pyrimidyl)phenyl] ester Formula: C32H47FN2O2 MolecularWeight: 510.726183

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C(=O)OC1=C(C=CC(=C1)CCCCCCCCC2CCCC2)C3=NC=CC=N3)F

Isomeric SMILES

CCCCCCC(C)(C(=O)OC1=C(C=CC(=C1)CCCCCCCCC2CCCC2)C3=NC=CC=N3)F

InChI

InChI=1S/C32H47FN2O2/c1-3-4-5-14-22-32(2,33)31(36)37-29-25-27(20-21-28(29)30-34-23-15-24-35-30)19-11-9-7-6-8-10-16-26-17-12-13-18-26/h15,20-21,23-26H,3-14,16-19,22H2,1-2H3