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

Systemtic Name: 4-[2-[[3-cyano-5-(trifluoromethyl)phenyl]methyl-[[4,5-dimethoxy-2-(2-methoxy-4-methyl-5-propan-2-yl-phenyl)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)-4,5-dimethoxy-phenyl]methyl]amino]pyrimidin-5-yl]oxybutanoic acid CAS Name: 4-[[2-[[3-cyano-5-(trifluoromethyl)phenyl]methyl-[[4,5-dimethoxy-2-(2-methoxy-4-methyl-5-propan-2-ylphenyl)phenyl]methyl]amino]-5-pyrimidinyl]oxy]butanoic acid IUPAC Name: 4-[2-[[3-cyano-5-(trifluoromethyl)phenyl]methyl-[[4,5-dimethoxy-2-(2-methoxy-4-methyl-5-propan-2-ylphenyl)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)-4,5-dimethoxy-benzyl]amino]pyrimidin-5-yl]oxybutyric acid Formula: C37H39F3N4O6 MolecularWeight: 692.72397

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)OC)C2=CC(=C(C=C2CN(CC3=CC(=CC(=C3)C#N)C(F)(F)F)C4=NC=C(C=N4)OCCCC(=O)O)OC)OC)C(C)C

Isomeric SMILES

CC1=C(C=C(C(=C1)OC)C2=CC(=C(C=C2CN(CC3=CC(=CC(=C3)C#N)C(F)(F)F)C4=NC=C(C=N4)OCCCC(=O)O)OC)OC)C(C)C

InChI

InChI=1S/C37H39F3N4O6/c1-22(2)29-15-31(32(47-4)10-23(29)3)30-16-34(49-6)33(48-5)14-26(30)21-44(20-25-11-24(17-41)12-27(13-25)37(38,39)40)36-42-18-28(19-43-36)50-9-7-8-35(45)46/h10-16,18-19,22H,7-9,20-21H2,1-6H3,(H,45,46)