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

Systemtic Name: [5-(8-cyclopentyloctyl)-2-pyrimidin-2-yl-phenyl] 2-(trifluoromethyl)octanoate Openeye Name: [5-(8-cyclopentyloctyl)-2-pyrimidin-2-yl-phenyl] 2-(trifluoromethyl)octanoate CAS Name: 2-(trifluoromethyl)octanoic acid [5-(8-cyclopentyloctyl)-2-(2-pyrimidinyl)phenyl] ester IUPAC Name: [5-(8-cyclopentyloctyl)-2-pyrimidin-2-ylphenyl] 2-(trifluoromethyl)octanoate Traditional Name: 2-(trifluoromethyl)caprylic acid [5-(8-cyclopentyloctyl)-2-(2-pyrimidyl)phenyl] ester Formula: C32H45F3N2O2 MolecularWeight: 546.70711

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H45F3N2O2/c1-2-3-4-11-19-28(32(33,34)35)31(38)39-29-24-26(20-21-27(29)30-36-22-14-23-37-30)18-10-8-6-5-7-9-15-25-16-12-13-17-25/h14,20-25,28H,2-13,15-19H2,1H3