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

Systemtic Name: 2-[2-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butylcarbamoyl]-4-iodanyl-phenoxy]ethyl ethanoate Openeye Name: 2-[2-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butylcarbamoyl]-4-iodo-phenoxy]ethyl acetate CAS Name: acetic 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 acetate Traditional Name: acetic acid 2-[2-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butylcarbamoyl]-4-iodo-phenoxy]ethyl ester Formula: C26H33IN2O6 MolecularWeight: 596.45449

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCOC1=C(C=C(C=C1)I)C(=O)NCCCCN2CCC3=CC(=C(C=C3C2)OC)OC

Isomeric SMILES

CC(=O)OCCOC1=C(C=C(C=C1)I)C(=O)NCCCCN2CCC3=CC(=C(C=C3C2)OC)OC

InChI

InChI=1S/C26H33IN2O6/c1-18(30)34-12-13-35-23-7-6-21(27)16-22(23)26(31)28-9-4-5-10-29-11-8-19-14-24(32-2)25(33-3)15-20(19)17-29/h6-7,14-16H,4-5,8-13,17H2,1-3H3,(H,28,31)