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

Systemtic Name: 2-[2-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butylcarbamoyl]-4-iodanyl-6-methoxy-phenoxy]ethyl methanesulfonate Openeye Name: 2-[2-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butylcarbamoyl]-4-iodo-6-methoxy-phenoxy]ethyl methanesulfonate CAS Name: methanesulfonic acid 2-[2-[[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butylamino]-oxomethyl]-4-iodo-6-methoxyphenoxy]ethyl ester IUPAC Name: 2-[2-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butylcarbamoyl]-4-iodo-6-methoxyphenoxy]ethyl methanesulfonate Traditional Name: methanesulfonic acid 2-[2-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butylcarbamoyl]-4-iodo-6-methoxy-phenoxy]ethyl ester Formula: C26H35IN2O8S MolecularWeight: 662.53417

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)CCCCNC(=O)C3=CC(=CC(=C3OCCOS(=O)(=O)C)OC)I)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)CCCCNC(=O)C3=CC(=CC(=C3OCCOS(=O)(=O)C)OC)I)OC

InChI

InChI=1S/C26H35IN2O8S/c1-33-22-13-18-7-10-29(17-19(18)14-23(22)34-2)9-6-5-8-28-26(30)21-15-20(27)16-24(35-3)25(21)36-11-12-37-38(4,31)32/h13-16H,5-12,17H2,1-4H3,(H,28,30)