9-[2-[5-(2-fluoranyloctyl)pyrimidin-2-yl]-1-phenyl-cyclopentyl]nonanoate

Systemtic Name: 9-[2-[5-(2-fluoranyloctyl)pyrimidin-2-yl]-1-phenyl-cyclopentyl]nonanoate Openeye Name: 9-[2-[5-(2-fluorooctyl)pyrimidin-2-yl]-1-phenyl-cyclopentyl]nonanoate CAS Name: 9-[2-[5-(2-fluorooctyl)-2-pyrimidinyl]-1-phenylcyclopentyl]nonanoate IUPAC Name: 9-[2-[5-(2-fluorooctyl)pyrimidin-2-yl]-1-phenylcyclopentyl]nonanoate Traditional Name: 9-[2-[5-(2-fluorooctyl)pyrimidin-2-yl]-1-phenyl-cyclopentyl]pelargonate Formula: C32H46FN2O2- MolecularWeight: 509.718243

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC1=CN=C(N=C1)C2CCCC2(CCCCCCCCC(=O)[O-])C3=CC=CC=C3)F

Isomeric SMILES

CCCCCCC(CC1=CN=C(N=C1)C2CCCC2(CCCCCCCCC(=O)[O-])C3=CC=CC=C3)F

InChI

InChI=1S/C32H47FN2O2/c1-2-3-4-12-18-28(33)23-26-24-34-31(35-25-26)29-19-15-22-32(29,27-16-10-9-11-17-27)21-14-8-6-5-7-13-20-30(36)37/h9-11,16-17,24-25,28-29H,2-8,12-15,18-23H2,1H3,(H,36,37)/p-1