methyl (1S)-2-[2,2,2-tris(fluoranyl)ethanoyl]-3,4-dihydro-1H-isoquinoline-1-carboxylate

Systemtic Name: methyl (1S)-2-[2,2,2-tris(fluoranyl)ethanoyl]-3,4-dihydro-1H-isoquinoline-1-carboxylate Openeye Name: methyl (1S)-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinoline-1-carboxylate CAS Name: (1S)-2-(2,2,2-trifluoro-1-oxoethyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid methyl ester IUPAC Name: methyl (1S)-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinoline-1-carboxylate Traditional Name: (1S)-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid methyl ester Formula: C13H12F3NO3 MolecularWeight: 287.23449

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C2=CC=CC=C2CCN1C(=O)C(F)(F)F

Isomeric SMILES

COC(=O)[C@@H]1C2=CC=CC=C2CCN1C(=O)C(F)(F)F

InChI

InChI=1S/C13H12F3NO3/c1-20-11(18)10-9-5-3-2-4-8(9)6-7-17(10)12(19)13(14,15)16/h2-5,10H,6-7H2,1H3/t10-/m0/s1