5-[[(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]pentanoic acid

Systemtic Name: 5-[[(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]pentanoic acid Openeye Name: 5-[(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]oxypentanoic acid CAS Name: 5-[[(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]pentanoic acid IUPAC Name: 5-[(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]oxypentanoic acid Traditional Name: 5-[(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]oxyvaleric acid Formula: C33H34F9N5O4 MolecularWeight: 735.639789

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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)N(C)C

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)N(C)C

InChI

InChI=1S/C33H34F9N5O4/c1-4-23-15-27(25-14-20(31(34,35)36)8-9-26(25)47(23)30(50)51-10-6-5-7-28(48)49)46(29-43-16-24(17-44-29)45(2)3)18-19-11-21(32(37,38)39)13-22(12-19)33(40,41)42/h8-9,11-14,16-17,23,27H,4-7,10,15,18H2,1-3H3,(H,48,49)/t23-,27+/m1/s1