ethyl 1-[(2-iodanyl-4,5-dimethoxy-phenyl)methyl]-6,7-dimethoxy-1H-isoquinoline-2-carboxylate

Systemtic Name: ethyl 1-[(2-iodanyl-4,5-dimethoxy-phenyl)methyl]-6,7-dimethoxy-1H-isoquinoline-2-carboxylate Openeye Name: ethyl 1-[(2-iodo-4,5-dimethoxy-phenyl)methyl]-6,7-dimethoxy-1H-isoquinoline-2-carboxylate CAS Name: 1-[(2-iodo-4,5-dimethoxyphenyl)methyl]-6,7-dimethoxy-1H-isoquinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2-iodo-4,5-dimethoxyphenyl)methyl]-6,7-dimethoxy-1H-isoquinoline-2-carboxylate Traditional Name: 1-(2-iodo-4,5-dimethoxy-benzyl)-6,7-dimethoxy-1H-isoquinoline-2-carboxylic acid ethyl ester Formula: C23H26INO6 MolecularWeight: 539.36011

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C=CC2=CC(=C(C=C2C1CC3=CC(=C(C=C3I)OC)OC)OC)OC

Isomeric SMILES

CCOC(=O)N1C=CC2=CC(=C(C=C2C1CC3=CC(=C(C=C3I)OC)OC)OC)OC

InChI

InChI=1S/C23H26INO6/c1-6-31-23(26)25-8-7-14-10-19(27-2)21(29-4)12-16(14)18(25)9-15-11-20(28-3)22(30-5)13-17(15)24/h7-8,10-13,18H,6,9H2,1-5H3