4-[[(2R,4S)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(dimethylamino)pyrimidin-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-(dimethylamino)pyrimidin-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-(dimethylamino)pyrimidin-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-(dimethylamino)-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-(dimethylamino)pyrimidin-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-(dimethylamino)pyrimidin-2-yl]amino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]oxybutyric acid Formula: C32H32F9N5O4 MolecularWeight: 721.613209

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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)N(C)C

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)N(C)C

InChI

InChI=1S/C32H32F9N5O4/c1-4-22-14-26(24-13-19(30(33,34)35)7-8-25(24)46(22)29(49)50-9-5-6-27(47)48)45(28-42-15-23(16-43-28)44(2)3)17-18-10-20(31(36,37)38)12-21(11-18)32(39,40)41/h7-8,10-13,15-16,22,26H,4-6,9,14,17H2,1-3H3,(H,47,48)/t22-,26+/m1/s1