ethyl 2-(2-methylpropyl)-1-oxidanylidene-7-phenylmethoxy-4-(trifluoromethylsulfonyloxy)isoquinoline-3-carboxylate

Systemtic Name: ethyl 2-(2-methylpropyl)-1-oxidanylidene-7-phenylmethoxy-4-(trifluoromethylsulfonyloxy)isoquinoline-3-carboxylate Openeye Name: ethyl 7-benzyloxy-2-isobutyl-1-oxo-4-(trifluoromethylsulfonyloxy)isoquinoline-3-carboxylate CAS Name: 2-(2-methylpropyl)-1-oxo-7-phenylmethoxy-4-(trifluoromethylsulfonyloxy)-3-isoquinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(2-methylpropyl)-1-oxo-7-phenylmethoxy-4-(trifluoromethylsulfonyloxy)isoquinoline-3-carboxylate Traditional Name: 7-benzoxy-2-isobutyl-1-keto-4-triflyloxy-isoquinoline-3-carboxylic acid ethyl ester Formula: C24H24F3NO7S MolecularWeight: 527.51007

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=C(C=C2)OCC3=CC=CC=C3)C(=O)N1CC(C)C)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=C(C=C2)OCC3=CC=CC=C3)C(=O)N1CC(C)C)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C24H24F3NO7S/c1-4-33-23(30)20-21(35-36(31,32)24(25,26)27)18-11-10-17(34-14-16-8-6-5-7-9-16)12-19(18)22(29)28(20)13-15(2)3/h5-12,15H,4,13-14H2,1-3H3