1-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxy-phenyl]ethenyl 2,2-dimethylpropanoate

Systemtic Name: 1-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxy-phenyl]ethenyl 2,2-dimethylpropanoate Openeye Name: 1-[2-[(6,7-dimethoxy-1-isoquinolyl)methyl]-4,5-dimethoxy-phenyl]vinyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid 1-[2-[(6,7-dimethoxy-1-isoquinolinyl)methyl]-4,5-dimethoxyphenyl]ethenyl ester IUPAC Name: 1-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl]ethenyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid 1-[2-[(6,7-dimethoxy-1-isoquinolyl)methyl]-4,5-dimethoxy-phenyl]vinyl ester Formula: C27H31NO6 MolecularWeight: 465.53814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OC(=C)C1=CC(=C(C=C1CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC)OC

Isomeric SMILES

CC(C)(C)C(=O)OC(=C)C1=CC(=C(C=C1CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC)OC

InChI

InChI=1S/C27H31NO6/c1-16(34-26(29)27(2,3)4)19-14-24(32-7)23(31-6)13-18(19)11-21-20-15-25(33-8)22(30-5)12-17(20)9-10-28-21/h9-10,12-15H,1,11H2,2-8H3