2-(1-benzofuran-2-yl)-3-[(7-ethoxy-2-oxidanyl-4-oxidanylidene-3-phenyl-quinolin-1-yl)methyl]benzoic acid

Systemtic Name: 2-(1-benzofuran-2-yl)-3-[(7-ethoxy-2-oxidanyl-4-oxidanylidene-3-phenyl-quinolin-1-yl)methyl]benzoic acid Openeye Name: 2-(benzofuran-2-yl)-3-[(7-ethoxy-2-hydroxy-4-oxo-3-phenyl-1-quinolyl)methyl]benzoic acid CAS Name: 2-(2-benzofuranyl)-3-[(7-ethoxy-2-hydroxy-4-oxo-3-phenyl-1-quinolinyl)methyl]benzoic acid IUPAC Name: 2-(1-benzofuran-2-yl)-3-[(7-ethoxy-2-hydroxy-4-oxo-3-phenylquinolin-1-yl)methyl]benzoic acid Traditional Name: 2-(benzofuran-2-yl)-3-[(7-ethoxy-2-hydroxy-4-keto-3-phenyl-1-quinolyl)methyl]benzoic acid Formula: C33H25NO6 MolecularWeight: 531.5547

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)C(=O)C(=C(N2CC3=CC=CC(=C3C4=CC5=CC=CC=C5O4)C(=O)O)O)C6=CC=CC=C6

Isomeric SMILES

CCOC1=CC2=C(C=C1)C(=O)C(=C(N2CC3=CC=CC(=C3C4=CC5=CC=CC=C5O4)C(=O)O)O)C6=CC=CC=C6

InChI

InChI=1S/C33H25NO6/c1-2-39-23-15-16-24-26(18-23)34(32(36)30(31(24)35)20-9-4-3-5-10-20)19-22-12-8-13-25(33(37)38)29(22)28-17-21-11-6-7-14-27(21)40-28/h3-18,36H,2,19H2,1H3,(H,37,38)