methyl 2-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-1,3-dihydroisoquinoline-3-carboxylate

Systemtic Name: methyl 2-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-1,3-dihydroisoquinoline-3-carboxylate Openeye Name: methyl 2-(1,3-benzodioxol-5-ylmethyl)-4-oxo-1,3-dihydroisoquinoline-3-carboxylate CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-4-oxo-1,3-dihydroisoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(1,3-benzodioxol-5-ylmethyl)-4-oxo-1,3-dihydroisoquinoline-3-carboxylate Traditional Name: 4-keto-2-piperonyl-1,3-dihydroisoquinoline-3-carboxylic acid methyl ester Formula: C19H17NO5 MolecularWeight: 339.34198

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(=O)C2=CC=CC=C2CN1CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC(=O)C1C(=O)C2=CC=CC=C2CN1CC3=CC4=C(C=C3)OCO4

InChI

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