4-[[(2R,4S)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]-2-ethyl-6-methoxy-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-methoxy-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-methoxy-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-methoxy-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-methoxy-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-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl]oxybutyric acid Formula: C34H37F6N5O6 MolecularWeight: 725.677899

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C34H37F6N5O6/c1-3-24-16-29(27-17-26(49-2)6-7-28(27)45(24)32(48)51-10-4-5-30(46)47)44(31-41-18-25(19-42-31)43-8-11-50-12-9-43)20-21-13-22(33(35,36)37)15-23(14-21)34(38,39)40/h6-7,13-15,17-19,24,29H,3-5,8-12,16,20H2,1-2H3,(H,46,47)/t24-,29+/m1/s1