2-(7-methoxy-1-benzofuran-2-yl)-6,8-dimethyl-quinoline-4-carboxylic acid

Systemtic Name: 2-(7-methoxy-1-benzofuran-2-yl)-6,8-dimethyl-quinoline-4-carboxylic acid Openeye Name: 2-(7-methoxybenzofuran-2-yl)-6,8-dimethyl-quinoline-4-carboxylic acid CAS Name: 2-(7-methoxy-2-benzofuranyl)-6,8-dimethyl-4-quinolinecarboxylic acid IUPAC Name: 2-(7-methoxy-1-benzofuran-2-yl)-6,8-dimethylquinoline-4-carboxylic acid Traditional Name: 2-(7-methoxybenzofuran-2-yl)-6,8-dimethyl-cinchoninic acid Formula: C21H17NO4 MolecularWeight: 347.36398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=N2)C3=CC4=C(O3)C(=CC=C4)OC)C(=O)O)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)C3=CC4=C(O3)C(=CC=C4)OC)C(=O)O)C

InChI

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