4-[2-[[3-cyano-5-(trifluoromethyl)phenyl]methyl-[[2-(2-ethoxy-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-ethoxy-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-(2-ethoxy-5-isopropyl-phenyl)-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]oxybutanoic acid CAS Name: 4-[[2-[[3-cyano-5-(trifluoromethyl)phenyl]methyl-[[2-(2-ethoxy-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-ethoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]oxybutanoic acid Traditional Name: 4-[2-[[3-cyano-5-(trifluoromethyl)benzyl]-[2-(2-ethoxy-5-isopropyl-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:

CCOC1=C(C=C(C=C1)C(C)C)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

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C)C)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

InChI

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