6-butan-2-yl-2-(7-methoxy-1-benzofuran-2-yl)quinoline-4-carboxylic acid

Systemtic Name: 6-butan-2-yl-2-(7-methoxy-1-benzofuran-2-yl)quinoline-4-carboxylic acid Openeye Name: 2-(7-methoxybenzofuran-2-yl)-6-sec-butyl-quinoline-4-carboxylic acid CAS Name: 6-butan-2-yl-2-(7-methoxy-2-benzofuranyl)-4-quinolinecarboxylic acid IUPAC Name: 6-butan-2-yl-2-(7-methoxy-1-benzofuran-2-yl)quinoline-4-carboxylic acid Traditional Name: 2-(7-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)14-8-9-18-16(10-14)17(23(25)26)12-19(24-18)21-11-15-6-5-7-20(27-3)22(15)28-21/h5-13H,4H2,1-3H3,(H,25,26)