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

Systemtic Name: 2-(5-bromanyl-1-benzofuran-2-yl)-6-methyl-quinoline-4-carboxylic acid Openeye Name: 2-(5-bromobenzofuran-2-yl)-6-methyl-quinoline-4-carboxylic acid CAS Name: 2-(5-bromo-2-benzofuranyl)-6-methyl-4-quinolinecarboxylic acid IUPAC Name: 2-(5-bromo-1-benzofuran-2-yl)-6-methylquinoline-4-carboxylic acid Traditional Name: 2-(5-bromobenzofuran-2-yl)-6-methyl-cinchoninic acid Formula: C19H12BrNO3 MolecularWeight: 382.20748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC4=C(O3)C=CC(=C4)Br

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC4=C(O3)C=CC(=C4)Br

InChI

InChI=1S/C19H12BrNO3/c1-10-2-4-15-13(6-10)14(19(22)23)9-16(21-15)18-8-11-7-12(20)3-5-17(11)24-18/h2-9H,1H3,(H,22,23)