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

Systemtic Name: 6-tert-butyl-2-(5-methoxy-1-benzofuran-2-yl)quinoline-4-carboxylic acid Openeye Name: 6-tert-butyl-2-(5-methoxybenzofuran-2-yl)quinoline-4-carboxylic acid CAS Name: 6-tert-butyl-2-(5-methoxy-2-benzofuranyl)-4-quinolinecarboxylic acid IUPAC Name: 6-tert-butyl-2-(5-methoxy-1-benzofuran-2-yl)quinoline-4-carboxylic acid Traditional Name: 6-tert-butyl-2-(5-methoxybenzofuran-2-yl)cinchoninic acid Formula: C23H21NO4 MolecularWeight: 375.41714

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H21NO4/c1-23(2,3)14-5-7-18-16(11-14)17(22(25)26)12-19(24-18)21-10-13-9-15(27-4)6-8-20(13)28-21/h5-12H,1-4H3,(H,25,26)