6-butyl-2-(5-methoxy-1-benzofuran-2-yl)quinoline-4-carboxylic acid

Systemtic Name: 6-butyl-2-(5-methoxy-1-benzofuran-2-yl)quinoline-4-carboxylic acid Openeye Name: 6-butyl-2-(5-methoxybenzofuran-2-yl)quinoline-4-carboxylic acid CAS Name: 6-butyl-2-(5-methoxy-2-benzofuranyl)-4-quinolinecarboxylic acid IUPAC Name: 6-butyl-2-(5-methoxy-1-benzofuran-2-yl)quinoline-4-carboxylic acid Traditional Name: 6-butyl-2-(5-methoxybenzofuran-2-yl)cinchoninic acid Formula: C23H21NO4 MolecularWeight: 375.41714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC4=C(O3)C=CC(=C4)OC

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC4=C(O3)C=CC(=C4)OC

InChI

InChI=1S/C23H21NO4/c1-3-4-5-14-6-8-19-17(10-14)18(23(25)26)13-20(24-19)22-12-15-11-16(27-2)7-9-21(15)28-22/h6-13H,3-5H2,1-2H3,(H,25,26)