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

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

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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=C(O3)C=CC(=C4)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H21NO4/c1-4-13(2)14-5-7-19-17(10-14)18(23(25)26)12-20(24-19)22-11-15-9-16(27-3)6-8-21(15)28-22/h5-13H,4H2,1-3H3,(H,25,26)