2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)quinoline-4-carboxylic acid

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)quinoline-4-carboxylic acid Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)quinoline-4-carboxylic acid CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-quinolinecarboxylic acid IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)quinoline-4-carboxylic acid Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)cinchoninic acid Formula: C19H15NO4 MolecularWeight: 321.3267

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)O)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)O)OC1

InChI

InChI=1S/C19H15NO4/c21-19(22)14-11-16(20-15-5-2-1-4-13(14)15)12-6-7-17-18(10-12)24-9-3-8-23-17/h1-2,4-7,10-11H,3,8-9H2,(H,21,22)