6-[[(2R)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(2-hydroxyethyloxy)pyrimidin-2-yl]amino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]carbonyloxy]hexanoic acid

Systemtic Name: 6-[[(2R)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(2-hydroxyethyloxy)pyrimidin-2-yl]amino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]carbonyloxy]hexanoic acid Openeye Name: 6-[(2R)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(2-hydroxyethoxy)pyrimidin-2-yl]amino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carbonyl]oxyhexanoic acid CAS Name: 6-[[(2R)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(2-hydroxyethoxy)-2-pyrimidinyl]amino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-oxomethoxy]hexanoic acid IUPAC Name: 6-[(2R)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(2-hydroxyethoxy)pyrimidin-2-yl]amino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carbonyl]oxyhexanoic acid Traditional Name: 6-[(2R)-4-[[3,5-bis(trifluoromethyl)benzyl]-[5-(2-hydroxyethoxy)pyrimidin-2-yl]amino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,5-naphthyridine-1-carbonyl]oxyhexanoic acid Formula: C33H34F9N5O6 MolecularWeight: 767.638589

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC(C2=C(N1C(=O)OCCCCCC(=O)O)C=CC(=N2)C(F)(F)F)N(CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=NC=C(C=N4)OCCO

Isomeric SMILES

CC[C@@H]1CC(C2=C(N1C(=O)OCCCCCC(=O)O)C=CC(=N2)C(F)(F)F)N(CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=NC=C(C=N4)OCCO

InChI

InChI=1S/C33H34F9N5O6/c1-2-22-15-25(28-24(7-8-26(45-28)33(40,41)42)47(22)30(51)53-10-5-3-4-6-27(49)50)46(29-43-16-23(17-44-29)52-11-9-48)18-19-12-20(31(34,35)36)14-21(13-19)32(37,38)39/h7-8,12-14,16-17,22,25,48H,2-6,9-11,15,18H2,1H3,(H,49,50)/t22-,25?/m1/s1