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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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