tert-butyl 6-[2,2,2-tris(fluoranyl)ethanoyloxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 6-[2,2,2-tris(fluoranyl)ethanoyloxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 6-(2,2,2-trifluoroacetyl)oxy-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 6-(2,2,2-trifluoro-1-oxoethoxy)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-(2,2,2-trifluoroacetyl)oxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 6-(2,2,2-trifluoroacetyl)oxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C16H18F3NO4 MolecularWeight: 345.31363

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=C(C1)C=CC(=C2)OC(=O)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=C(C1)C=CC(=C2)OC(=O)C(F)(F)F

InChI

InChI=1S/C16H18F3NO4/c1-15(2,3)24-14(22)20-7-6-10-8-12(5-4-11(10)9-20)23-13(21)16(17,18)19/h4-5,8H,6-7,9H2,1-3H3