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

Systemtic Name: 4-[2-[[3-cyano-5-(trifluoromethyl)phenyl]methyl-[[2-(2-methoxy-4-methyl-5-propan-2-yl-phenyl)-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]oxybutanoic acid Openeye Name: 4-[2-[[3-cyano-5-(trifluoromethyl)phenyl]methyl-[[2-(5-isopropyl-2-methoxy-4-methyl-phenyl)-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]oxybutanoic acid CAS Name: 4-[[2-[[3-cyano-5-(trifluoromethyl)phenyl]methyl-[[2-(2-methoxy-4-methyl-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]amino]-5-pyrimidinyl]oxy]butanoic acid IUPAC Name: 4-[2-[[3-cyano-5-(trifluoromethyl)phenyl]methyl-[[2-(2-methoxy-4-methyl-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]oxybutanoic acid Traditional Name: 4-[2-[[3-cyano-5-(trifluoromethyl)benzyl]-[2-(5-isopropyl-2-methoxy-4-methyl-phenyl)-5-(trifluoromethyl)benzyl]amino]pyrimidin-5-yl]oxybutyric acid Formula: C36H34F6N4O4 MolecularWeight: 700.669979

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)OC)C2=C(C=C(C=C2)C(F)(F)F)CN(CC3=CC(=CC(=C3)C#N)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)C(F)(F)F)CN(CC3=CC(=CC(=C3)C#N)C(F)(F)F)C4=NC=C(C=N4)OCCCC(=O)O)C(C)C

InChI

InChI=1S/C36H34F6N4O4/c1-21(2)30-15-31(32(49-4)10-22(30)3)29-8-7-26(35(37,38)39)14-25(29)20-46(19-24-11-23(16-43)12-27(13-24)36(40,41)42)34-44-17-28(18-45-34)50-9-5-6-33(47)48/h7-8,10-15,17-18,21H,5-6,9,19-20H2,1-4H3,(H,47,48)