2-[2-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butylcarbamoyl]-4-iodanyl-phenoxy]ethyl methanesulfonate

Systemtic Name: 2-[2-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butylcarbamoyl]-4-iodanyl-phenoxy]ethyl methanesulfonate Openeye Name: 2-[2-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butylcarbamoyl]-4-iodo-phenoxy]ethyl methanesulfonate CAS Name: methanesulfonic acid 2-[2-[[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butylamino]-oxomethyl]-4-iodophenoxy]ethyl ester IUPAC Name: 2-[2-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butylcarbamoyl]-4-iodophenoxy]ethyl methanesulfonate Traditional Name: methanesulfonic acid 2-[2-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butylcarbamoyl]-4-iodo-phenoxy]ethyl ester Formula: C25H33IN2O7S MolecularWeight: 632.50819

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)CCCCNC(=O)C3=C(C=CC(=C3)I)OCCOS(=O)(=O)C)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)CCCCNC(=O)C3=C(C=CC(=C3)I)OCCOS(=O)(=O)C)OC

InChI

InChI=1S/C25H33IN2O7S/c1-32-23-14-18-8-11-28(17-19(18)15-24(23)33-2)10-5-4-9-27-25(29)21-16-20(26)6-7-22(21)34-12-13-35-36(3,30)31/h6-7,14-16H,4-5,8-13,17H2,1-3H3,(H,27,29)