methyl 2-(2,2-diphenylethanoyl)-6-(trifluoromethylsulfonyloxy)-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl 2-(2,2-diphenylethanoyl)-6-(trifluoromethylsulfonyloxy)-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl 2-(2,2-diphenylacetyl)-6-(trifluoromethylsulfonyloxy)-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-(1-oxo-2,2-diphenylethyl)-6-(trifluoromethylsulfonyloxy)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(2,2-diphenylacetyl)-6-(trifluoromethylsulfonyloxy)-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-(2,2-diphenylacetyl)-6-triflyloxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C26H22F3NO6S MolecularWeight: 533.51619

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=C(CN1C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)C=CC(=C2)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

COC(=O)C1CC2=C(CN1C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)C=CC(=C2)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C26H22F3NO6S/c1-35-25(32)22-15-20-14-21(36-37(33,34)26(27,28)29)13-12-19(20)16-30(22)24(31)23(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-14,22-23H,15-16H2,1H3