4-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-[[2-[4-fluoranyl-2-methoxy-5-(2-oxidanylpropan-2-yl)phenyl]-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]oxybutanoic acid

Systemtic Name: 4-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-[[2-[4-fluoranyl-2-methoxy-5-(2-oxidanylpropan-2-yl)phenyl]-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]oxybutanoic acid Openeye Name: 4-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-[[2-[4-fluoro-5-(1-hydroxy-1-methyl-ethyl)-2-methoxy-phenyl]-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]oxybutanoic acid CAS Name: 4-[[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-[[2-[4-fluoro-5-(2-hydroxypropan-2-yl)-2-methoxyphenyl]-5-(trifluoromethyl)phenyl]methyl]amino]-5-pyrimidinyl]oxy]butanoic acid IUPAC Name: 4-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-[[2-[4-fluoro-5-(2-hydroxypropan-2-yl)-2-methoxyphenyl]-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]oxybutanoic acid Traditional Name: 4-[2-[[3,5-bis(trifluoromethyl)benzyl]-[2-[4-fluoro-5-(1-hydroxy-1-methyl-ethyl)-2-methoxy-phenyl]-5-(trifluoromethyl)benzyl]amino]pyrimidin-5-yl]oxybutyric acid Formula: C35H31F10N3O5 MolecularWeight: 763.621772

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=C(C=C(C(=C1)C2=C(C=C(C=C2)C(F)(F)F)CN(CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=NC=C(C=N4)OCCCC(=O)O)OC)F)O

Isomeric SMILES

CC(C)(C1=C(C=C(C(=C1)C2=C(C=C(C=C2)C(F)(F)F)CN(CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=NC=C(C=N4)OCCCC(=O)O)OC)F)O

InChI

InChI=1S/C35H31F10N3O5/c1-32(2,51)27-13-26(29(52-3)14-28(27)36)25-7-6-21(33(37,38)39)11-20(25)18-48(31-46-15-24(16-47-31)53-8-4-5-30(49)50)17-19-9-22(34(40,41)42)12-23(10-19)35(43,44)45/h6-7,9-16,51H,4-5,8,17-18H2,1-3H3,(H,49,50)