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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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