tert-butyl 1-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 1-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C24H28BrNO6 MolecularWeight: 506.38622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=CC(=C(C=C2C1CC3=CC4=C(C=C3Br)OCO4)OC)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=CC(=C(C=C2C1CC3=CC4=C(C=C3Br)OCO4)OC)OC

InChI

InChI=1S/C24H28BrNO6/c1-24(2,3)32-23(27)26-7-6-14-9-19(28-4)20(29-5)11-16(14)18(26)8-15-10-21-22(12-17(15)25)31-13-30-21/h9-12,18H,6-8,13H2,1-5H3