2-(5-bromanyl-1-benzofuran-2-yl)-6,8-dimethyl-quinoline-4-carboxylic acid

Systemtic Name: 2-(5-bromanyl-1-benzofuran-2-yl)-6,8-dimethyl-quinoline-4-carboxylic acid Openeye Name: 2-(5-bromobenzofuran-2-yl)-6,8-dimethyl-quinoline-4-carboxylic acid CAS Name: 2-(5-bromo-2-benzofuranyl)-6,8-dimethyl-4-quinolinecarboxylic acid IUPAC Name: 2-(5-bromo-1-benzofuran-2-yl)-6,8-dimethylquinoline-4-carboxylic acid Traditional Name: 2-(5-bromobenzofuran-2-yl)-6,8-dimethyl-cinchoninic acid Formula: C20H14BrNO3 MolecularWeight: 396.23406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=N2)C3=CC4=C(O3)C=CC(=C4)Br)C(=O)O)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)C3=CC4=C(O3)C=CC(=C4)Br)C(=O)O)C

InChI

InChI=1S/C20H14BrNO3/c1-10-5-11(2)19-14(6-10)15(20(23)24)9-16(22-19)18-8-12-7-13(21)3-4-17(12)25-18/h3-9H,1-2H3,(H,23,24)