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

Systemtic Name: 2-[5,7-bis(chloranyl)-1-benzofuran-2-yl]-6-tert-butyl-quinoline-4-carboxylic acid Openeye Name: 6-tert-butyl-2-(5,7-dichlorobenzofuran-2-yl)quinoline-4-carboxylic acid CAS Name: 6-tert-butyl-2-(5,7-dichloro-2-benzofuranyl)-4-quinolinecarboxylic acid IUPAC Name: 6-tert-butyl-2-(5,7-dichloro-1-benzofuran-2-yl)quinoline-4-carboxylic acid Traditional Name: 6-tert-butyl-2-(5,7-dichlorobenzofuran-2-yl)cinchoninic acid Formula: C22H17Cl2NO3 MolecularWeight: 414.28128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17Cl2NO3/c1-22(2,3)12-4-5-17-14(8-12)15(21(26)27)10-18(25-17)19-7-11-6-13(23)9-16(24)20(11)28-19/h4-10H,1-3H3,(H,26,27)