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

Systemtic Name: tert-butyl 2-(2-methylpropyl)-1-oxidanylidene-6-phenylmethoxy-4-(trifluoromethylsulfonyloxy)isoquinoline-3-carboxylate Openeye Name: tert-butyl 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 tert-butyl ester IUPAC Name: tert-butyl 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 tert-butyl ester Formula: C26H28F3NO7S MolecularWeight: 555.56323

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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(C)(C)C

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(C)(C)C

InChI

InChI=1S/C26H28F3NO7S/c1-16(2)14-30-21(24(32)36-25(3,4)5)22(37-38(33,34)26(27,28)29)20-13-18(11-12-19(20)23(30)31)35-15-17-9-7-6-8-10-17/h6-13,16H,14-15H2,1-5H3