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

Systemtic Name: 4-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-[[2-(4-fluoranyl-2-methoxy-5-propan-2-yl-phenyl)-5-methoxy-phenyl]methyl]amino]pyrimidin-5-yl]oxybutanoic acid Openeye Name: 4-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-[[2-(4-fluoro-5-isopropyl-2-methoxy-phenyl)-5-methoxy-phenyl]methyl]amino]pyrimidin-5-yl]oxybutanoic acid CAS Name: 4-[[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-methoxyphenyl]methyl]amino]-5-pyrimidinyl]oxy]butanoic acid IUPAC Name: 4-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-methoxyphenyl]methyl]amino]pyrimidin-5-yl]oxybutanoic acid Traditional Name: 4-[2-[[3,5-bis(trifluoromethyl)benzyl]-[2-(4-fluoro-5-isopropyl-2-methoxy-phenyl)-5-methoxy-benzyl]amino]pyrimidin-5-yl]oxybutyric acid Formula: C35H34F7N3O5 MolecularWeight: 709.650382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H34F7N3O5/c1-20(2)28-14-29(31(49-4)15-30(28)36)27-8-7-25(48-3)12-22(27)19-45(33-43-16-26(17-44-33)50-9-5-6-32(46)47)18-21-10-23(34(37,38)39)13-24(11-21)35(40,41)42/h7-8,10-17,20H,5-6,9,18-19H2,1-4H3,(H,46,47)