O4-[(R)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2S)-piperidin-2-yl]methyl] O1-[(8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-17-oxidanyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] butanedioate

Systemtic Name: O4-[(R)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2S)-piperidin-2-yl]methyl] O1-[(8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-17-oxidanyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] butanedioate Openeye Name: O4-[(R)-[2,8-bis(trifluoromethyl)-4-quinolyl]-[(2S)-2-piperidyl]methyl] O1-[(8R,9S,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] butanedioate CAS Name: butanedioic acid O4-[(R)-[2,8-bis(trifluoromethyl)-4-quinolinyl]-[(2S)-2-piperidinyl]methyl] ester O1-[(8R,9S,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] ester IUPAC Name: 4-O-[(R)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2S)-piperidin-2-yl]methyl] 1-O-[(8R,9S,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] butanedioate Traditional Name: succinic acid O4-[(R)-[2,8-bis(trifluoromethyl)-4-quinolyl]-[(2S)-2-piperidyl]methyl] ester O1-[(8R,9S,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] ester Formula: C41H42F6N2O5 MolecularWeight: 756.772999

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)OC(=O)CCC(=O)OC(C5CCCCN5)C6=CC(=NC7=C6C=CC=C7C(F)(F)F)C(F)(F)F

Isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3C=CC(=C4)OC(=O)CCC(=O)O[C@@H]([C@@H]5CCCCN5)C6=CC(=NC7=C6C=CC=C7C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C41H42F6N2O5/c1-3-39(52)19-17-30-27-12-10-23-21-24(11-13-25(23)26(27)16-18-38(30,39)2)53-34(50)14-15-35(51)54-37(32-9-4-5-20-48-32)29-22-33(41(45,46)47)49-36-28(29)7-6-8-31(36)40(42,43)44/h1,6-8,11,13,21-22,26-27,30,32,37,48,52H,4-5,9-10,12,14-20H2,2H3/t26-,27-,30+,32+,37-,38+,39+/m1/s1