2-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]quinoline-4-carboxylic acid

Systemtic Name: 2-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]quinoline-4-carboxylic acid Openeye Name: 2-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)vinyl]quinoline-4-carboxylic acid CAS Name: 2-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-quinolinecarboxylic acid IUPAC Name: 2-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]quinoline-4-carboxylic acid Traditional Name: 2-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)vinyl]cinchoninic acid Formula: C20H15NO4 MolecularWeight: 333.3374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C=CC3=NC4=CC=CC=C4C(=C3)C(=O)O

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)/C=C/C3=NC4=CC=CC=C4C(=C3)C(=O)O

InChI

InChI=1S/C20H15NO4/c22-20(23)16-12-14(21-17-4-2-1-3-15(16)17)7-5-13-6-8-18-19(11-13)25-10-9-24-18/h1-8,11-12H,9-10H2,(H,22,23)/b7-5+