2-(1,3-benzodioxol-5-ylmethylamino)-7-methoxy-quinoline-3-carboxylic acid

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylamino)-7-methoxy-quinoline-3-carboxylic acid Openeye Name: 2-(1,3-benzodioxol-5-ylmethylamino)-7-methoxy-quinoline-3-carboxylic acid CAS Name: 2-(1,3-benzodioxol-5-ylmethylamino)-7-methoxy-3-quinolinecarboxylic acid IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylamino)-7-methoxyquinoline-3-carboxylic acid Traditional Name: 7-methoxy-2-(piperonylamino)quinoline-3-carboxylic acid Formula: C19H16N2O5 MolecularWeight: 352.34074

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=NC(=C(C=C2C=C1)C(=O)O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC2=NC(=C(C=C2C=C1)C(=O)O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H16N2O5/c1-24-13-4-3-12-7-14(19(22)23)18(21-15(12)8-13)20-9-11-2-5-16-17(6-11)26-10-25-16/h2-8H,9-10H2,1H3,(H,20,21)(H,22,23)