ethyl 4-[[2-(1,3-benzodioxol-5-ylcarbonyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate

Systemtic Name: ethyl 4-[[2-(1,3-benzodioxol-5-ylcarbonyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate Openeye Name: ethyl 4-[[2-(1,3-benzodioxole-5-carbonyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate CAS Name: 4-[[2-[1,3-benzodioxol-5-yl(oxo)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(1,3-benzodioxole-5-carbonyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate Traditional Name: 4-[(6,7-dimethoxy-2-piperonyloyl-3,4-dihydro-1H-isoquinolin-1-yl)methoxy]benzoic acid ethyl ester Formula: C29H29NO8 MolecularWeight: 519.54246

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OCC2C3=CC(=C(C=C3CCN2C(=O)C4=CC5=C(C=C4)OCO5)OC)OC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OCC2C3=CC(=C(C=C3CCN2C(=O)C4=CC5=C(C=C4)OCO5)OC)OC

InChI

InChI=1S/C29H29NO8/c1-4-35-29(32)18-5-8-21(9-6-18)36-16-23-22-15-26(34-3)25(33-2)13-19(22)11-12-30(23)28(31)20-7-10-24-27(14-20)38-17-37-24/h5-10,13-15,23H,4,11-12,16-17H2,1-3H3