2-[2-(1,3-benzodioxol-5-yl)ethylamino]-7-methoxy-quinoline-3-carboxylic acid

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)ethylamino]-7-methoxy-quinoline-3-carboxylic acid Openeye Name: 2-[2-(1,3-benzodioxol-5-yl)ethylamino]-7-methoxy-quinoline-3-carboxylic acid CAS Name: 2-[2-(1,3-benzodioxol-5-yl)ethylamino]-7-methoxy-3-quinolinecarboxylic acid IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)ethylamino]-7-methoxyquinoline-3-carboxylic acid Traditional Name: 2-(homopiperonylamino)-7-methoxy-quinoline-3-carboxylic acid Formula: C20H18N2O5 MolecularWeight: 366.36732

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=NC(=C(C=C2C=C1)C(=O)O)NCCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC2=NC(=C(C=C2C=C1)C(=O)O)NCCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H18N2O5/c1-25-14-4-3-13-9-15(20(23)24)19(22-16(13)10-14)21-7-6-12-2-5-17-18(8-12)27-11-26-17/h2-5,8-10H,6-7,11H2,1H3,(H,21,22)(H,23,24)