2-(1,3-benzodioxol-5-ylcarbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-(1,3-benzodioxol-5-ylcarbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-(1,3-benzodioxole-5-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-[1,3-benzodioxol-5-yl(oxo)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-(1,3-benzodioxole-5-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-piperonyloyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C18H15NO5 MolecularWeight: 325.3154

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)C3=CC4=C(C=C3)OCO4)C(=O)O

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)C(=O)C3=CC4=C(C=C3)OCO4)C(=O)O

InChI

InChI=1S/C18H15NO5/c20-17(12-5-6-15-16(8-12)24-10-23-15)19-9-13-4-2-1-3-11(13)7-14(19)18(21)22/h1-6,8,14H,7,9-10H2,(H,21,22)