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

Systemtic Name: 6-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-[(2R,4S)-1-ethoxycarbonyl-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-yl]amino]pyrimidin-5-yl]oxyhexanoic acid Openeye Name: 6-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-[(2R,4S)-1-ethoxycarbonyl-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-yl]amino]pyrimidin-5-yl]oxyhexanoic acid CAS Name: 6-[[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-[(2R,4S)-1-ethoxycarbonyl-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-yl]amino]-5-pyrimidinyl]oxy]hexanoic acid IUPAC Name: 6-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-[(2R,4S)-1-ethoxycarbonyl-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-yl]amino]pyrimidin-5-yl]oxyhexanoic acid Traditional Name: 6-[2-[[3,5-bis(trifluoromethyl)benzyl]-[(2R,4S)-1-carbethoxy-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-yl]amino]pyrimidin-5-yl]oxyhexanoic acid Formula: C34H35F9N4O5 MolecularWeight: 750.651129

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC(C2=C(N1C(=O)OCC)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)OCCCCCC(=O)O

Isomeric SMILES

CC[C@@H]1C[C@@H](C2=C(N1C(=O)OCC)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)OCCCCCC(=O)O

InChI

InChI=1S/C34H35F9N4O5/c1-3-24-16-28(26-15-21(32(35,36)37)9-10-27(26)47(24)31(50)51-4-2)46(19-20-12-22(33(38,39)40)14-23(13-20)34(41,42)43)30-44-17-25(18-45-30)52-11-7-5-6-8-29(48)49/h9-10,12-15,17-18,24,28H,3-8,11,16,19H2,1-2H3,(H,48,49)/t24-,28+/m1/s1