(phenylmethyl) (2S,3S,6R)-2-(3-chloranylpropyl)-3-methyl-6-(4-phenylmethoxybutyl)-4-(trifluoromethylsulfonyloxy)-3,6-dihydro-2H-pyridine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S,3S,6R)-2-(3-chloranylpropyl)-3-methyl-6-(4-phenylmethoxybutyl)-4-(trifluoromethylsulfonyloxy)-3,6-dihydro-2H-pyridine-1-carboxylate Openeye Name: benzyl (2S,3S,6R)-6-(4-benzyloxybutyl)-2-(3-chloropropyl)-3-methyl-4-(trifluoromethylsulfonyloxy)-3,6-dihydro-2H-pyridine-1-carboxylate CAS Name: (2S,3S,6R)-2-(3-chloropropyl)-3-methyl-6-(4-phenylmethoxybutyl)-4-(trifluoromethylsulfonyloxy)-3,6-dihydro-2H-pyridine-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S,3S,6R)-2-(3-chloropropyl)-3-methyl-6-(4-phenylmethoxybutyl)-4-(trifluoromethylsulfonyloxy)-3,6-dihydro-2H-pyridine-1-carboxylate Traditional Name: (2S,3S,6R)-6-(4-benzoxybutyl)-2-(3-chloropropyl)-3-methyl-4-triflyloxy-3,6-dihydro-2H-pyridine-1-carboxylic acid benzyl ester Formula: C29H35ClF3NO6S MolecularWeight: 618.10451

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(N(C(C=C1OS(=O)(=O)C(F)(F)F)CCCCOCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)CCCCl

Isomeric SMILES

C[C@H]1[C@@H](N([C@@H](C=C1OS(=O)(=O)C(F)(F)F)CCCCOCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)CCCCl

InChI

InChI=1S/C29H35ClF3NO6S/c1-22-26(16-10-17-30)34(28(35)39-21-24-13-6-3-7-14-24)25(19-27(22)40-41(36,37)29(31,32)33)15-8-9-18-38-20-23-11-4-2-5-12-23/h2-7,11-14,19,22,25-26H,8-10,15-18,20-21H2,1H3/t22-,25+,26-/m0/s1