3-[[(2R,4S)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(3-cyanopropoxy)pyrimidin-2-yl]amino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]carbonyloxy]-2,2-dimethyl-propanoic acid

Systemtic Name: 3-[[(2R,4S)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(3-cyanopropoxy)pyrimidin-2-yl]amino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]carbonyloxy]-2,2-dimethyl-propanoic acid Openeye Name: 3-[(2R,4S)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(3-cyanopropoxy)pyrimidin-2-yl]amino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]oxy-2,2-dimethyl-propanoic acid CAS Name: 3-[[(2R,4S)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(3-cyanopropoxy)-2-pyrimidinyl]amino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-oxomethoxy]-2,2-dimethylpropanoic acid IUPAC Name: 3-[(2R,4S)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-[5-(3-cyanopropoxy)pyrimidin-2-yl]amino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]oxy-2,2-dimethylpropanoic acid Traditional Name: 3-[(2R,4S)-4-[[3,5-bis(trifluoromethyl)benzyl]-[5-(3-cyanopropoxy)pyrimidin-2-yl]amino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]oxy-2,2-dimethyl-propionic acid Formula: C35H34F9N5O5 MolecularWeight: 775.660589

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC(C2=C(N1C(=O)OCC(C)(C)C(=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)OCCCC#N

Isomeric SMILES

CC[C@@H]1C[C@@H](C2=C(N1C(=O)OCC(C)(C)C(=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)OCCCC#N

InChI

InChI=1S/C35H34F9N5O5/c1-4-24-15-28(26-14-21(33(36,37)38)7-8-27(26)49(24)31(52)54-19-32(2,3)29(50)51)48(30-46-16-25(17-47-30)53-10-6-5-9-45)18-20-11-22(34(39,40)41)13-23(12-20)35(42,43)44/h7-8,11-14,16-17,24,28H,4-6,10,15,18-19H2,1-3H3,(H,50,51)/t24-,28+/m1/s1