methyl 2-(1,3-benzodioxol-5-ylcarbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxylate

Systemtic Name: methyl 2-(1,3-benzodioxol-5-ylcarbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxylate Openeye Name: methyl 2-(1,3-benzodioxole-5-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxylate CAS Name: 2-[1,3-benzodioxol-5-yl(oxo)methyl]-3,4-dihydro-1H-isoquinoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-(1,3-benzodioxole-5-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxylate Traditional Name: 2-piperonyloyl-3,4-dihydro-1H-isoquinoline-7-carboxylic acid methyl ester Formula: C19H17NO5 MolecularWeight: 339.34198

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(CCN(C2)C(=O)C3=CC4=C(C=C3)OCO4)C=C1

Isomeric SMILES

COC(=O)C1=CC2=C(CCN(C2)C(=O)C3=CC4=C(C=C3)OCO4)C=C1

InChI

InChI=1S/C19H17NO5/c1-23-19(22)14-3-2-12-6-7-20(10-15(12)8-14)18(21)13-4-5-16-17(9-13)25-11-24-16/h2-5,8-9H,6-7,10-11H2,1H3