methyl (2S,3S,4S,5R,6S)-3,4,5-tris(2,2-dimethylpropanoyloxy)-6-[2-nitro-3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethylamino]phenoxy]oxane-2-carboxylate

Systemtic Name: methyl (2S,3S,4S,5R,6S)-3,4,5-tris(2,2-dimethylpropanoyloxy)-6-[2-nitro-3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethylamino]phenoxy]oxane-2-carboxylate Openeye Name: methyl (2S,3S,4S,5R,6S)-3,4,5-tris(2,2-dimethylpropanoyloxy)-6-[2-nitro-3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethylamino]phenoxy]tetrahydropyran-2-carboxylate CAS Name: (2S,3S,4S,5R,6S)-3,4,5-tris(2,2-dimethyl-1-oxopropoxy)-6-[2-nitro-3-[2-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]ethylamino]phenoxy]-2-oxanecarboxylic acid methyl ester IUPAC Name: methyl (2S,3S,4S,5R,6S)-3,4,5-tris(2,2-dimethylpropanoyloxy)-6-[2-nitro-3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethylamino]phenoxy]oxane-2-carboxylate Traditional Name: (2S,3S,4S,5R,6S)-6-[2-nitro-3-[2-[4-[3-(trifluoromethyl)phenyl]piperazino]ethylamino]phenoxy]-3,4,5-tripivaloyloxy-tetrahydropyran-2-carboxylic acid methyl ester Formula: C41H55F3N4O12 MolecularWeight: 852.89021

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OC1C(C(OC(C1OC(=O)C(C)(C)C)OC2=CC=CC(=C2[N+](=O)[O-])NCCN3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F)C(=O)OC)OC(=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C(C)(C)C)OC2=CC=CC(=C2[N+](=O)[O-])NCCN3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F)C(=O)OC)OC(=O)C(C)(C)C

InChI

InChI=1S/C41H55F3N4O12/c1-38(2,3)35(50)58-29-30(59-36(51)39(4,5)6)32(60-37(52)40(7,8)9)34(57-31(29)33(49)55-10)56-27-16-12-15-26(28(27)48(53)54)45-17-18-46-19-21-47(22-20-46)25-14-11-13-24(23-25)41(42,43)44/h11-16,23,29-32,34,45H,17-22H2,1-10H3/t29-,30-,31-,32+,34+/m0/s1