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

Systemtic Name: 6-butyl-2-(7-methoxy-1-benzofuran-2-yl)quinoline-4-carboxylic acid Openeye Name: 6-butyl-2-(7-methoxybenzofuran-2-yl)quinoline-4-carboxylic acid CAS Name: 6-butyl-2-(7-methoxy-2-benzofuranyl)-4-quinolinecarboxylic acid IUPAC Name: 6-butyl-2-(7-methoxy-1-benzofuran-2-yl)quinoline-4-carboxylic acid Traditional Name: 6-butyl-2-(7-methoxybenzofuran-2-yl)cinchoninic acid Formula: C23H21NO4 MolecularWeight: 375.41714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC4=C(O3)C(=CC=C4)OC

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC4=C(O3)C(=CC=C4)OC

InChI

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