2-[5,7-bis(chloranyl)-1-benzofuran-2-yl]-8-propan-2-yl-quinoline-4-carboxylic acid

Systemtic Name: 2-[5,7-bis(chloranyl)-1-benzofuran-2-yl]-8-propan-2-yl-quinoline-4-carboxylic acid Openeye Name: 2-(5,7-dichlorobenzofuran-2-yl)-8-isopropyl-quinoline-4-carboxylic acid CAS Name: 2-(5,7-dichloro-2-benzofuranyl)-8-propan-2-yl-4-quinolinecarboxylic acid IUPAC Name: 2-(5,7-dichloro-1-benzofuran-2-yl)-8-propan-2-ylquinoline-4-carboxylic acid Traditional Name: 2-(5,7-dichlorobenzofuran-2-yl)-8-isopropyl-cinchoninic acid Formula: C21H15Cl2NO3 MolecularWeight: 400.2547

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC2=C1N=C(C=C2C(=O)O)C3=CC4=CC(=CC(=C4O3)Cl)Cl

Isomeric SMILES

CC(C)C1=CC=CC2=C1N=C(C=C2C(=O)O)C3=CC4=CC(=CC(=C4O3)Cl)Cl

InChI

InChI=1S/C21H15Cl2NO3/c1-10(2)13-4-3-5-14-15(21(25)26)9-17(24-19(13)14)18-7-11-6-12(22)8-16(23)20(11)27-18/h3-10H,1-2H3,(H,25,26)