5-bromanyl-2-(5-heptylfuran-2-yl)quinoline-4-carboxylic acid

Systemtic Name: 5-bromanyl-2-(5-heptylfuran-2-yl)quinoline-4-carboxylic acid Openeye Name: 5-bromo-2-(5-heptyl-2-furyl)quinoline-4-carboxylic acid CAS Name: 5-bromo-2-(5-heptyl-2-furanyl)-4-quinolinecarboxylic acid IUPAC Name: 5-bromo-2-(5-heptylfuran-2-yl)quinoline-4-carboxylic acid Traditional Name: 5-bromo-2-(5-heptyl-2-furyl)cinchoninic acid Formula: C21H22BrNO3 MolecularWeight: 416.30828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(O1)C2=NC3=C(C(=CC=C3)Br)C(=C2)C(=O)O

Isomeric SMILES

CCCCCCCC1=CC=C(O1)C2=NC3=C(C(=CC=C3)Br)C(=C2)C(=O)O

InChI

InChI=1S/C21H22BrNO3/c1-2-3-4-5-6-8-14-11-12-19(26-14)18-13-15(21(24)25)20-16(22)9-7-10-17(20)23-18/h7,9-13H,2-6,8H2,1H3,(H,24,25)