[8-methoxy-3,3-dimethyl-2-(phenylmethyl)-1,4-dihydroisoquinolin-6-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [8-methoxy-3,3-dimethyl-2-(phenylmethyl)-1,4-dihydroisoquinolin-6-yl] tris(fluoranyl)methanesulfonate Openeye Name: (2-benzyl-8-methoxy-3,3-dimethyl-1,4-dihydroisoquinolin-6-yl) trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [8-methoxy-3,3-dimethyl-2-(phenylmethyl)-1,4-dihydroisoquinolin-6-yl] ester IUPAC Name: (2-benzyl-8-methoxy-3,3-dimethyl-1,4-dihydroisoquinolin-6-yl) trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid (2-benzyl-8-methoxy-3,3-dimethyl-1,4-dihydroisoquinolin-6-yl) ester Formula: C20H22F3NO4S MolecularWeight: 429.45319

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC(=CC(=C2CN1CC3=CC=CC=C3)OC)OS(=O)(=O)C(F)(F)F)C

Isomeric SMILES

CC1(CC2=CC(=CC(=C2CN1CC3=CC=CC=C3)OC)OS(=O)(=O)C(F)(F)F)C

InChI

InChI=1S/C20H22F3NO4S/c1-19(2)11-15-9-16(28-29(25,26)20(21,22)23)10-18(27-3)17(15)13-24(19)12-14-7-5-4-6-8-14/h4-10H,11-13H2,1-3H3