4-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-[[2-(2-methoxy-5-propan-2-yl-phenyl)-5-(4-methyl-4-oxidanyl-piperidin-1-yl)phenyl]methyl]amino]pyrimidin-5-yl]oxybutanoic acid

Systemtic Name: 4-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-[[2-(2-methoxy-5-propan-2-yl-phenyl)-5-(4-methyl-4-oxidanyl-piperidin-1-yl)phenyl]methyl]amino]pyrimidin-5-yl]oxybutanoic acid Openeye Name: 4-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-[[5-(4-hydroxy-4-methyl-1-piperidyl)-2-(5-isopropyl-2-methoxy-phenyl)phenyl]methyl]amino]pyrimidin-5-yl]oxybutanoic acid CAS Name: 4-[[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-[[5-(4-hydroxy-4-methyl-1-piperidinyl)-2-(2-methoxy-5-propan-2-ylphenyl)phenyl]methyl]amino]-5-pyrimidinyl]oxy]butanoic acid IUPAC Name: 4-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-[[5-(4-hydroxy-4-methylpiperidin-1-yl)-2-(2-methoxy-5-propan-2-ylphenyl)phenyl]methyl]amino]pyrimidin-5-yl]oxybutanoic acid Traditional Name: 4-[2-[[3,5-bis(trifluoromethyl)benzyl]-[5-(4-hydroxy-4-methyl-piperidino)-2-(5-isopropyl-2-methoxy-phenyl)benzyl]amino]pyrimidin-5-yl]oxybutyric acid Formula: C40H44F6N4O5 MolecularWeight: 774.791579

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C=C1)OC)C2=C(C=C(C=C2)N3CCC(CC3)(C)O)CN(CC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C5=NC=C(C=N5)OCCCC(=O)O

Isomeric SMILES

CC(C)C1=CC(=C(C=C1)OC)C2=C(C=C(C=C2)N3CCC(CC3)(C)O)CN(CC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C5=NC=C(C=N5)OCCCC(=O)O

InChI

InChI=1S/C40H44F6N4O5/c1-25(2)27-7-10-35(54-4)34(19-27)33-9-8-31(49-13-11-38(3,53)12-14-49)18-28(33)24-50(37-47-21-32(22-48-37)55-15-5-6-36(51)52)23-26-16-29(39(41,42)43)20-30(17-26)40(44,45)46/h7-10,16-22,25,53H,5-6,11-15,23-24H2,1-4H3,(H,51,52)