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

Systemtic Name: 2-(5-bromanyl-1-benzofuran-2-yl)-6-butyl-quinoline-4-carboxylic acid Openeye Name: 2-(5-bromobenzofuran-2-yl)-6-butyl-quinoline-4-carboxylic acid CAS Name: 2-(5-bromo-2-benzofuranyl)-6-butyl-4-quinolinecarboxylic acid IUPAC Name: 2-(5-bromo-1-benzofuran-2-yl)-6-butylquinoline-4-carboxylic acid Traditional Name: 2-(5-bromobenzofuran-2-yl)-6-butyl-cinchoninic acid Formula: C22H18BrNO3 MolecularWeight: 424.28722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18BrNO3/c1-2-3-4-13-5-7-18-16(9-13)17(22(25)26)12-19(24-18)21-11-14-10-15(23)6-8-20(14)27-21/h5-12H,2-4H2,1H3,(H,25,26)