2-(5-bromanyl-1-benzofuran-2-yl)-8-ethyl-quinoline-4-carboxylic acid

Systemtic Name: 2-(5-bromanyl-1-benzofuran-2-yl)-8-ethyl-quinoline-4-carboxylic acid Openeye Name: 2-(5-bromobenzofuran-2-yl)-8-ethyl-quinoline-4-carboxylic acid CAS Name: 2-(5-bromo-2-benzofuranyl)-8-ethyl-4-quinolinecarboxylic acid IUPAC Name: 2-(5-bromo-1-benzofuran-2-yl)-8-ethylquinoline-4-carboxylic acid Traditional Name: 2-(5-bromobenzofuran-2-yl)-8-ethyl-cinchoninic acid Formula: C20H14BrNO3 MolecularWeight: 396.23406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1N=C(C=C2C(=O)O)C3=CC4=C(O3)C=CC(=C4)Br

Isomeric SMILES

CCC1=CC=CC2=C1N=C(C=C2C(=O)O)C3=CC4=C(O3)C=CC(=C4)Br

InChI

InChI=1S/C20H14BrNO3/c1-2-11-4-3-5-14-15(20(23)24)10-16(22-19(11)14)18-9-12-8-13(21)6-7-17(12)25-18/h3-10H,2H2,1H3,(H,23,24)