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

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

CC1=C(C=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)C(C)C

Isomeric SMILES

CC1=C(C=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)C(C)C

InChI

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