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

Systemtic Name: [5-(7-cyclopentylheptoxy)-2-pyrimidin-2-yl-phenyl] 2-fluoranyloctanoate Openeye Name: [5-(7-cyclopentylheptoxy)-2-pyrimidin-2-yl-phenyl] 2-fluorooctanoate CAS Name: 2-fluorooctanoic acid [5-(7-cyclopentylheptoxy)-2-(2-pyrimidinyl)phenyl] ester IUPAC Name: [5-(7-cyclopentylheptoxy)-2-pyrimidin-2-ylphenyl] 2-fluorooctanoate Traditional Name: 2-fluorocaprylic acid [5-(7-cyclopentylheptoxy)-2-(2-pyrimidyl)phenyl] ester Formula: C30H43FN2O3 MolecularWeight: 498.672423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H43FN2O3/c1-2-3-4-9-17-27(31)30(34)36-28-23-25(18-19-26(28)29-32-20-13-21-33-29)35-22-12-7-5-6-8-14-24-15-10-11-16-24/h13,18-21,23-24,27H,2-12,14-17,22H2,1H3