methyl 4-[[2-(2-iodanylphenyl)carbonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate

Systemtic Name: methyl 4-[[2-(2-iodanylphenyl)carbonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate Openeye Name: methyl 4-[[2-(2-iodobenzoyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate CAS Name: 4-[[2-[(2-iodophenyl)-oxomethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(2-iodobenzoyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate Traditional Name: 4-[[2-(2-iodobenzoyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoic acid methyl ester Formula: C27H26INO6 MolecularWeight: 587.40291

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)C3=CC=CC=C3I)COC4=CC=C(C=C4)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=O)C3=CC=CC=C3I)COC4=CC=C(C=C4)C(=O)OC)OC

InChI

InChI=1S/C27H26INO6/c1-32-24-14-18-12-13-29(26(30)20-6-4-5-7-22(20)28)23(21(18)15-25(24)33-2)16-35-19-10-8-17(9-11-19)27(31)34-3/h4-11,14-15,23H,12-13,16H2,1-3H3