methyl 2-[2,2,2-tris(fluoranyl)ethanoyl]-3,4-dihydro-1H-isoquinoline-7-carboxylate

Systemtic Name: methyl 2-[2,2,2-tris(fluoranyl)ethanoyl]-3,4-dihydro-1H-isoquinoline-7-carboxylate Openeye Name: methyl 2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinoline-7-carboxylate CAS Name: 2-(2,2,2-trifluoro-1-oxoethyl)-3,4-dihydro-1H-isoquinoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinoline-7-carboxylate Traditional Name: 2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinoline-7-carboxylic acid methyl ester Formula: C13H12F3NO3 MolecularWeight: 287.23449

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(CCN(C2)C(=O)C(F)(F)F)C=C1

Isomeric SMILES

COC(=O)C1=CC2=C(CCN(C2)C(=O)C(F)(F)F)C=C1

InChI

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