methyl 1-(1,3-benzodioxol-5-ylmethyl)-1H-isoquinoline-2-carboxylate

Systemtic Name: methyl 1-(1,3-benzodioxol-5-ylmethyl)-1H-isoquinoline-2-carboxylate Openeye Name: methyl 1-(1,3-benzodioxol-5-ylmethyl)-1H-isoquinoline-2-carboxylate CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-1H-isoquinoline-2-carboxylic acid methyl ester IUPAC Name: methyl 1-(1,3-benzodioxol-5-ylmethyl)-1H-isoquinoline-2-carboxylate Traditional Name: 1-piperonyl-1H-isoquinoline-2-carboxylic acid methyl ester Formula: C19H17NO4 MolecularWeight: 323.34258

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1C=CC2=CC=CC=C2C1CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC(=O)N1C=CC2=CC=CC=C2C1CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H17NO4/c1-22-19(21)20-9-8-14-4-2-3-5-15(14)16(20)10-13-6-7-17-18(11-13)24-12-23-17/h2-9,11,16H,10,12H2,1H3