2-[(E)-2-(4,7-dimethoxy-1,3-benzodioxol-5-yl)ethenyl]quinoline-4-carboxylic acid

Systemtic Name: 2-[(E)-2-(4,7-dimethoxy-1,3-benzodioxol-5-yl)ethenyl]quinoline-4-carboxylic acid Openeye Name: 2-[(E)-2-(4,7-dimethoxy-1,3-benzodioxol-5-yl)vinyl]quinoline-4-carboxylic acid CAS Name: 2-[(E)-2-(4,7-dimethoxy-1,3-benzodioxol-5-yl)ethenyl]-4-quinolinecarboxylic acid IUPAC Name: 2-[(E)-2-(4,7-dimethoxy-1,3-benzodioxol-5-yl)ethenyl]quinoline-4-carboxylic acid Traditional Name: 2-[(E)-2-(4,7-dimethoxy-1,3-benzodioxol-5-yl)vinyl]cinchoninic acid Formula: C21H17NO6 MolecularWeight: 379.36278

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C(=C1)C=CC3=NC4=CC=CC=C4C(=C3)C(=O)O)OC)OCO2

Isomeric SMILES

COC1=C2C(=C(C(=C1)/C=C/C3=NC4=CC=CC=C4C(=C3)C(=O)O)OC)OCO2

InChI

InChI=1S/C21H17NO6/c1-25-17-9-12(18(26-2)20-19(17)27-11-28-20)7-8-13-10-15(21(23)24)14-5-3-4-6-16(14)22-13/h3-10H,11H2,1-2H3,(H,23,24)/b8-7+