2-[3-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-2-oxidanylidene-quinolin-1-yl]ethanoic acid

Systemtic Name: 2-[3-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-2-oxidanylidene-quinolin-1-yl]ethanoic acid Openeye Name: 2-[3-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-2-oxo-1-quinolyl]acetic acid CAS Name: 2-[3-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-2-oxo-1-quinolinyl]acetic acid IUPAC Name: 2-[3-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-2-oxoquinolin-1-yl]acetic acid Traditional Name: 2-[3-(1,3-benzodioxol-5-yl)-2-keto-6,7-dimethoxy-1-quinolyl]acetic acid Formula: C20H17NO7 MolecularWeight: 383.35148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=C(C(=O)N2CC(=O)O)C3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=C(C(=O)N2CC(=O)O)C3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C20H17NO7/c1-25-16-7-12-5-13(11-3-4-15-18(6-11)28-10-27-15)20(24)21(9-19(22)23)14(12)8-17(16)26-2/h3-8H,9-10H2,1-2H3,(H,22,23)