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

Systemtic Name: 4-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-[[2-(5-tert-butyl-2-methoxy-phenyl)-5-methoxy-phenyl]methyl]amino]pyrimidin-5-yl]oxybutanoic acid Openeye Name: 4-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-[[2-(5-tert-butyl-2-methoxy-phenyl)-5-methoxy-phenyl]methyl]amino]pyrimidin-5-yl]oxybutanoic acid CAS Name: 4-[[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-[[2-(5-tert-butyl-2-methoxyphenyl)-5-methoxyphenyl]methyl]amino]-5-pyrimidinyl]oxy]butanoic acid IUPAC Name: 4-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-[[2-(5-tert-butyl-2-methoxyphenyl)-5-methoxyphenyl]methyl]amino]pyrimidin-5-yl]oxybutanoic acid Traditional Name: 4-[2-[[3,5-bis(trifluoromethyl)benzyl]-[2-(5-tert-butyl-2-methoxy-phenyl)-5-methoxy-benzyl]amino]pyrimidin-5-yl]oxybutyric acid Formula: C36H37F6N3O5 MolecularWeight: 705.686499

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)OC)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

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OC)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

InChI

InChI=1S/C36H37F6N3O5/c1-34(2,3)24-8-11-31(49-5)30(17-24)29-10-9-27(48-4)15-23(29)21-45(33-43-18-28(19-44-33)50-12-6-7-32(46)47)20-22-13-25(35(37,38)39)16-26(14-22)36(40,41)42/h8-11,13-19H,6-7,12,20-21H2,1-5H3,(H,46,47)