[4-(7-cyclopentylheptoxy)-3-phenyl-2-pyrimidin-5-yl-phenyl] 2-fluoranyloctanoate

Systemtic Name: [4-(7-cyclopentylheptoxy)-3-phenyl-2-pyrimidin-5-yl-phenyl] 2-fluoranyloctanoate Openeye Name: [4-(7-cyclopentylheptoxy)-3-phenyl-2-pyrimidin-5-yl-phenyl] 2-fluorooctanoate CAS Name: 2-fluorooctanoic acid [4-(7-cyclopentylheptoxy)-3-phenyl-2-(5-pyrimidinyl)phenyl] ester IUPAC Name: [4-(7-cyclopentylheptoxy)-3-phenyl-2-pyrimidin-5-ylphenyl] 2-fluorooctanoate Traditional Name: 2-fluorocaprylic acid [4-(7-cyclopentylheptoxy)-3-phenyl-2-(5-pyrimidyl)phenyl] ester Formula: C36H47FN2O3 MolecularWeight: 574.768383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H47FN2O3/c1-2-3-4-12-21-31(37)36(40)42-33-23-22-32(41-24-15-7-5-6-9-16-28-17-13-14-18-28)34(29-19-10-8-11-20-29)35(33)30-25-38-27-39-26-30/h8,10-11,19-20,22-23,25-28,31H,2-7,9,12-18,21,24H2,1H3