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

Systemtic Name: 2-(5-methoxy-1-benzofuran-2-yl)-6-propan-2-yl-quinoline-4-carboxylic acid Openeye Name: 6-isopropyl-2-(5-methoxybenzofuran-2-yl)quinoline-4-carboxylic acid CAS Name: 2-(5-methoxy-2-benzofuranyl)-6-propan-2-yl-4-quinolinecarboxylic acid IUPAC Name: 2-(5-methoxy-1-benzofuran-2-yl)-6-propan-2-ylquinoline-4-carboxylic acid Traditional Name: 6-isopropyl-2-(5-methoxybenzofuran-2-yl)cinchoninic acid Formula: C22H19NO4 MolecularWeight: 361.39056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19NO4/c1-12(2)13-4-6-18-16(9-13)17(22(24)25)11-19(23-18)21-10-14-8-15(26-3)5-7-20(14)27-21/h4-12H,1-3H3,(H,24,25)