O1-[(10R,10aS)-10-ethynyl-10a-methyl-10-oxidanyl-6,6a,7,7a,8,9,11,11a-octahydro-5H-cyclopenta[b]phenanthren-3-yl] O4-[[2,8-bis(trifluoromethyl)quinolin-4-yl]-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]methyl] butanedioate

Systemtic Name: O1-[(10R,10aS)-10-ethynyl-10a-methyl-10-oxidanyl-6,6a,7,7a,8,9,11,11a-octahydro-5H-cyclopenta[b]phenanthren-3-yl] O4-[[2,8-bis(trifluoromethyl)quinolin-4-yl]-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]methyl] butanedioate Openeye Name: O1-[(10R,10aS)-10-ethynyl-10-hydroxy-10a-methyl-6,6a,7,7a,8,9,11,11a-octahydro-5H-cyclopenta[b]phenanthren-3-yl] O4-[[2,8-bis(trifluoromethyl)-4-quinolyl]-(1-tert-butoxycarbonyl-2-piperidyl)methyl] butanedioate CAS Name: butanedioic acid O1-[(10R,10aS)-10-ethynyl-10-hydroxy-10a-methyl-6,6a,7,7a,8,9,11,11a-octahydro-5H-cyclopenta[b]phenanthren-3-yl] ester O4-[[2,8-bis(trifluoromethyl)-4-quinolinyl]-[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-piperidinyl]methyl] ester IUPAC Name: 1-O-[(10R,10aS)-10-ethynyl-10-hydroxy-10a-methyl-6,6a,7,7a,8,9,11,11a-octahydro-5H-cyclopenta[b]phenanthren-3-yl] 4-O-[[2,8-bis(trifluoromethyl)quinolin-4-yl]-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]methyl] butanedioate Traditional Name: succinic acid O1-[(10R,10aS)-10-ethynyl-10-hydroxy-10a-methyl-6,6a,7,7a,8,9,11,11a-octahydro-5H-cyclopenta[b]phenanthren-3-yl] ester O4-[[2,8-bis(trifluoromethyl)-4-quinolyl]-(1-tert-butoxycarbonyl-2-piperidyl)methyl] ester Formula: C46H50F6N2O7 MolecularWeight: 856.888819

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3C(CCC4=C3C=CC(=C4)OC(=O)CCC(=O)OC(C5CCCCN5C(=O)OC(C)(C)C)C6=CC(=NC7=C6C=CC=C7C(F)(F)F)C(F)(F)F)CC1CCC2(C#C)O

Isomeric SMILES

C[C@]12CC3C(CCC4=C3C=CC(=C4)OC(=O)CCC(=O)OC(C5CCCCN5C(=O)OC(C)(C)C)C6=CC(=NC7=C6C=CC=C7C(F)(F)F)C(F)(F)F)CC1CC[C@]2(C#C)O

InChI

InChI=1S/C46H50F6N2O7/c1-6-44(58)20-19-28-22-26-13-14-27-23-29(15-16-30(27)33(26)25-43(28,44)5)59-37(55)17-18-38(56)60-40(35-12-7-8-21-54(35)41(57)61-42(2,3)4)32-24-36(46(50,51)52)53-39-31(32)10-9-11-34(39)45(47,48)49/h1,9-11,15-16,23-24,26,28,33,35,40,58H,7-8,12-14,17-22,25H2,2-5H3/t26?,28?,33?,35?,40?,43-,44-/m0/s1