2-[5,7-bis(chloranyl)-1-benzofuran-2-yl]-6-propan-2-yl-quinoline-4-carboxylic acid

Systemtic Name: 2-[5,7-bis(chloranyl)-1-benzofuran-2-yl]-6-propan-2-yl-quinoline-4-carboxylic acid Openeye Name: 2-(5,7-dichlorobenzofuran-2-yl)-6-isopropyl-quinoline-4-carboxylic acid CAS Name: 2-(5,7-dichloro-2-benzofuranyl)-6-propan-2-yl-4-quinolinecarboxylic acid IUPAC Name: 2-(5,7-dichloro-1-benzofuran-2-yl)-6-propan-2-ylquinoline-4-carboxylic acid Traditional Name: 2-(5,7-dichlorobenzofuran-2-yl)-6-isopropyl-cinchoninic acid Formula: C21H15Cl2NO3 MolecularWeight: 400.2547

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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=CC(=CC(=C4O3)Cl)Cl

Isomeric SMILES

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

InChI

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