4-[[(2R,4S)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]carbonyloxy]butanoic acid

Systemtic Name: 4-[[(2R,4S)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]carbonyloxy]butanoic acid Openeye Name: 4-[(2R,4S)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-morpholinopyrimidin-2-yl)amino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]oxybutanoic acid CAS Name: 4-[[(2R,4S)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(4-morpholinyl)-2-pyrimidinyl]amino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-oxomethoxy]butanoic acid IUPAC Name: 4-[(2R,4S)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]oxybutanoic acid Traditional Name: 4-[(2R,4S)-4-[[3,5-bis(trifluoromethyl)benzyl]-(5-morpholinopyrimidin-2-yl)amino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]oxybutyric acid Formula: C34H34F9N5O5 MolecularWeight: 763.649889

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC(C2=C(N1C(=O)OCCCC(=O)O)C=CC(=C2)C(F)(F)F)N(CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=NC=C(C=N4)N5CCOCC5

Isomeric SMILES

CC[C@@H]1C[C@@H](C2=C(N1C(=O)OCCCC(=O)O)C=CC(=C2)C(F)(F)F)N(CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=NC=C(C=N4)N5CCOCC5

InChI

InChI=1S/C34H34F9N5O5/c1-2-24-16-28(26-15-21(32(35,36)37)5-6-27(26)48(24)31(51)53-9-3-4-29(49)50)47(30-44-17-25(18-45-30)46-7-10-52-11-8-46)19-20-12-22(33(38,39)40)14-23(13-20)34(41,42)43/h5-6,12-15,17-18,24,28H,2-4,7-11,16,19H2,1H3,(H,49,50)/t24-,28+/m1/s1