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

Systemtic Name: 2-(5-bromanyl-1-benzofuran-2-yl)-6-propan-2-yl-quinoline-4-carboxylic acid Openeye Name: 2-(5-bromobenzofuran-2-yl)-6-isopropyl-quinoline-4-carboxylic acid CAS Name: 2-(5-bromo-2-benzofuranyl)-6-propan-2-yl-4-quinolinecarboxylic acid IUPAC Name: 2-(5-bromo-1-benzofuran-2-yl)-6-propan-2-ylquinoline-4-carboxylic acid Traditional Name: 2-(5-bromobenzofuran-2-yl)-6-isopropyl-cinchoninic acid Formula: C21H16BrNO3 MolecularWeight: 410.26064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16BrNO3/c1-11(2)12-3-5-17-15(8-12)16(21(24)25)10-18(23-17)20-9-13-7-14(22)4-6-19(13)26-20/h3-11H,1-2H3,(H,24,25)