8-bromanyl-2-(2-methoxyphenyl)quinoline-4-carboxylic acid

Systemtic Name: 8-bromanyl-2-(2-methoxyphenyl)quinoline-4-carboxylic acid Openeye Name: 8-bromo-2-(2-methoxyphenyl)quinoline-4-carboxylic acid CAS Name: 8-bromo-2-(2-methoxyphenyl)-4-quinolinecarboxylic acid IUPAC Name: 8-bromo-2-(2-methoxyphenyl)quinoline-4-carboxylic acid Traditional Name: 8-bromo-2-(2-methoxyphenyl)cinchoninic acid Formula: C17H12BrNO3 MolecularWeight: 358.18608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NC3=C(C=CC=C3Br)C(=C2)C(=O)O

Isomeric SMILES

COC1=CC=CC=C1C2=NC3=C(C=CC=C3Br)C(=C2)C(=O)O

InChI

InChI=1S/C17H12BrNO3/c1-22-15-8-3-2-5-11(15)14-9-12(17(20)21)10-6-4-7-13(18)16(10)19-14/h2-9H,1H3,(H,20,21)