[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 4-(trifluoromethyloxy)benzoate

Systemtic Name: [2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 4-(trifluoromethyloxy)benzoate Openeye Name: [2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 4-(trifluoromethoxy)benzoate CAS Name: 4-(trifluoromethoxy)benzoic acid [2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 4-(trifluoromethoxy)benzoate Traditional Name: 4-(trifluoromethoxy)benzoic acid [2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C21H20F3NO6 MolecularWeight: 439.38181

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)COC(=O)C3=CC=C(C=C3)OC(F)(F)F)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)COC(=O)C3=CC=C(C=C3)OC(F)(F)F)OC

InChI

InChI=1S/C21H20F3NO6/c1-28-17-9-14-7-8-25(11-15(14)10-18(17)29-2)19(26)12-30-20(27)13-3-5-16(6-4-13)31-21(22,23)24/h3-6,9-10H,7-8,11-12H2,1-2H3