6-tert-butyl-2-(5-chloranyl-1-benzofuran-2-yl)quinoline-4-carboxylic acid

Systemtic Name: 6-tert-butyl-2-(5-chloranyl-1-benzofuran-2-yl)quinoline-4-carboxylic acid Openeye Name: 6-tert-butyl-2-(5-chlorobenzofuran-2-yl)quinoline-4-carboxylic acid CAS Name: 6-tert-butyl-2-(5-chloro-2-benzofuranyl)-4-quinolinecarboxylic acid IUPAC Name: 6-tert-butyl-2-(5-chloro-1-benzofuran-2-yl)quinoline-4-carboxylic acid Traditional Name: 6-tert-butyl-2-(5-chlorobenzofuran-2-yl)cinchoninic acid Formula: C22H18ClNO3 MolecularWeight: 379.83622

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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=C(O3)C=CC(=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H18ClNO3/c1-22(2,3)13-4-6-17-15(10-13)16(21(25)26)11-18(24-17)20-9-12-8-14(23)5-7-19(12)27-20/h4-11H,1-3H3,(H,25,26)