5-[[(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]pentanoic acid

Systemtic Name: 5-[[(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]pentanoic acid Openeye Name: 5-[(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]oxypentanoic acid CAS Name: 5-[[(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]pentanoic acid IUPAC Name: 5-[(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]oxypentanoic acid Traditional Name: 5-[(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]oxyvaleric acid Formula: C35H34F9N5O5 MolecularWeight: 775.660589

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC(C2=C(N1C(=O)OCCCCC(=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)OCCCCC(=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/c1-2-25-17-29(27-16-22(33(36,37)38)8-9-28(27)49(25)32(52)54-12-5-3-7-30(50)51)48(31-46-18-26(19-47-31)53-11-6-4-10-45)20-21-13-23(34(39,40)41)15-24(14-21)35(42,43)44/h8-9,13-16,18-19,25,29H,2-7,11-12,17,20H2,1H3,(H,50,51)/t25-,29+/m1/s1