methyl (3R)-2-[2-(1,3-benzodioxol-5-ylcarbonyloxy)ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl (3R)-2-[2-(1,3-benzodioxol-5-ylcarbonyloxy)ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3R)-2-[2-(1,3-benzodioxole-5-carbonyloxy)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[2-[1,3-benzodioxol-5-yl(oxo)methoxy]-1-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-2-[2-(1,3-benzodioxole-5-carbonyloxy)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-(2-piperonyloyloxyacetyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C21H19NO7 MolecularWeight: 397.37806

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=CC=CC=C2CN1C(=O)COC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC(=O)[C@H]1CC2=CC=CC=C2CN1C(=O)COC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H19NO7/c1-26-21(25)16-8-13-4-2-3-5-15(13)10-22(16)19(23)11-27-20(24)14-6-7-17-18(9-14)29-12-28-17/h2-7,9,16H,8,10-12H2,1H3/t16-/m1/s1