methyl 2-(2-methylpropyl)-1-oxidanylidene-6-phenylmethoxy-4-(trifluoromethylsulfonyloxy)isoquinoline-3-carboxylate

Systemtic Name: methyl 2-(2-methylpropyl)-1-oxidanylidene-6-phenylmethoxy-4-(trifluoromethylsulfonyloxy)isoquinoline-3-carboxylate Openeye Name: methyl 6-benzyloxy-2-isobutyl-1-oxo-4-(trifluoromethylsulfonyloxy)isoquinoline-3-carboxylate CAS Name: 2-(2-methylpropyl)-1-oxo-6-phenylmethoxy-4-(trifluoromethylsulfonyloxy)-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(2-methylpropyl)-1-oxo-6-phenylmethoxy-4-(trifluoromethylsulfonyloxy)isoquinoline-3-carboxylate Traditional Name: 6-benzoxy-2-isobutyl-1-keto-4-triflyloxy-isoquinoline-3-carboxylic acid methyl ester Formula: C23H22F3NO7S MolecularWeight: 513.48349

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)OCC3=CC=CC=C3)OS(=O)(=O)C(F)(F)F)C(=O)OC

Isomeric SMILES

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)OCC3=CC=CC=C3)OS(=O)(=O)C(F)(F)F)C(=O)OC

InChI

InChI=1S/C23H22F3NO7S/c1-14(2)12-27-19(22(29)32-3)20(34-35(30,31)23(24,25)26)18-11-16(9-10-17(18)21(27)28)33-13-15-7-5-4-6-8-15/h4-11,14H,12-13H2,1-3H3