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

Systemtic Name: 6-ethyl-2-(5-methoxy-1-benzofuran-2-yl)quinoline-4-carboxylic acid Openeye Name: 6-ethyl-2-(5-methoxybenzofuran-2-yl)quinoline-4-carboxylic acid CAS Name: 6-ethyl-2-(5-methoxy-2-benzofuranyl)-4-quinolinecarboxylic acid IUPAC Name: 6-ethyl-2-(5-methoxy-1-benzofuran-2-yl)quinoline-4-carboxylic acid Traditional Name: 6-ethyl-2-(5-methoxybenzofuran-2-yl)cinchoninic acid Formula: C21H17NO4 MolecularWeight: 347.36398

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC4=C(O3)C=CC(=C4)OC

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC4=C(O3)C=CC(=C4)OC

InChI

InChI=1S/C21H17NO4/c1-3-12-4-6-17-15(8-12)16(21(23)24)11-18(22-17)20-10-13-9-14(25-2)5-7-19(13)26-20/h4-11H,3H2,1-2H3,(H,23,24)