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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17Cl2NO3/c1-3-11(2)12-4-5-18-15(7-12)16(22(26)27)10-19(25-18)20-8-13-6-14(23)9-17(24)21(13)28-20/h4-11H,3H2,1-2H3,(H,26,27)