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

Systemtic Name: [5-(7-cyclopentylheptoxy)-2-pyrimidin-2-yl-phenyl] 2-(trifluoromethyl)octanoate Openeye Name: [5-(7-cyclopentylheptoxy)-2-pyrimidin-2-yl-phenyl] 2-(trifluoromethyl)octanoate CAS Name: 2-(trifluoromethyl)octanoic acid [5-(7-cyclopentylheptoxy)-2-(2-pyrimidinyl)phenyl] ester IUPAC Name: [5-(7-cyclopentylheptoxy)-2-pyrimidin-2-ylphenyl] 2-(trifluoromethyl)octanoate Traditional Name: 2-(trifluoromethyl)caprylic acid [5-(7-cyclopentylheptoxy)-2-(2-pyrimidyl)phenyl] ester Formula: C31H43F3N2O3 MolecularWeight: 548.67993

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H43F3N2O3/c1-2-3-4-9-17-27(31(32,33)34)30(37)39-28-23-25(18-19-26(28)29-35-20-13-21-36-29)38-22-12-7-5-6-8-14-24-15-10-11-16-24/h13,18-21,23-24,27H,2-12,14-17,22H2,1H3