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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18BrNO3/c1-3-12(2)13-4-6-18-16(9-13)17(22(25)26)11-19(24-18)21-10-14-8-15(23)5-7-20(14)27-21/h4-12H,3H2,1-2H3,(H,25,26)