O3-ethyl O2-methyl (3S)-6-[2-ethoxycarbonyl-5,5-bis(fluoranyl)piperidin-1-yl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2,3-dicarboxylate

Systemtic Name: O3-ethyl O2-methyl (3S)-6-[2-ethoxycarbonyl-5,5-bis(fluoranyl)piperidin-1-yl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2,3-dicarboxylate Openeye Name: O3-ethyl O2-methyl (3S)-6-(2-ethoxycarbonyl-5,5-difluoro-1-piperidyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2,3-dicarboxylate CAS Name: (3S)-6-(2-ethoxycarbonyl-5,5-difluoro-1-piperidinyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2,3-dicarboxylic acid O3-ethyl ester O2-methyl ester IUPAC Name: 3-O-ethyl 2-O-methyl (3S)-6-(2-ethoxycarbonyl-5,5-difluoropiperidin-1-yl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2,3-dicarboxylate Traditional Name: (3S)-6-(2-carbethoxy-5,5-difluoro-piperidino)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2,3-dicarboxylic acid O3-ethyl ester O2-methyl ester Formula: C22H34F2N2O6 MolecularWeight: 460.511966

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC(CN1C2CCC3CN(C(CC3C2)C(=O)OCC)C(=O)OC)(F)F

Isomeric SMILES

CCOC(=O)[C@@H]1CC2CC(CCC2CN1C(=O)OC)N3CC(CCC3C(=O)OCC)(F)F

InChI

InChI=1S/C22H34F2N2O6/c1-4-31-19(27)17-8-9-22(23,24)13-26(17)16-7-6-14-12-25(21(29)30-3)18(11-15(14)10-16)20(28)32-5-2/h14-18H,4-13H2,1-3H3/t14?,15?,16?,17?,18-/m0/s1