2-(5-methoxy-1-benzofuran-2-yl)-5,8-dimethyl-quinoline-4-carboxylic acid

Systemtic Name: 2-(5-methoxy-1-benzofuran-2-yl)-5,8-dimethyl-quinoline-4-carboxylic acid Openeye Name: 2-(5-methoxybenzofuran-2-yl)-5,8-dimethyl-quinoline-4-carboxylic acid CAS Name: 2-(5-methoxy-2-benzofuranyl)-5,8-dimethyl-4-quinolinecarboxylic acid IUPAC Name: 2-(5-methoxy-1-benzofuran-2-yl)-5,8-dimethylquinoline-4-carboxylic acid Traditional Name: 2-(5-methoxybenzofuran-2-yl)-5,8-dimethyl-cinchoninic acid Formula: C21H17NO4 MolecularWeight: 347.36398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=NC2=C(C=C1)C)C3=CC4=C(O3)C=CC(=C4)OC)C(=O)O

Isomeric SMILES

CC1=C2C(=CC(=NC2=C(C=C1)C)C3=CC4=C(O3)C=CC(=C4)OC)C(=O)O

InChI

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