4-[[7-[2-(3-fluorophenyl)ethanoyloxy]-1-oxidanylidene-isoquinolin-2-yl]methyl]benzoic acid

Systemtic Name: 4-[[7-[2-(3-fluorophenyl)ethanoyloxy]-1-oxidanylidene-isoquinolin-2-yl]methyl]benzoic acid Openeye Name: 4-[[7-[2-(3-fluorophenyl)acetyl]oxy-1-oxo-2-isoquinolyl]methyl]benzoic acid CAS Name: 4-[[7-[2-(3-fluorophenyl)-1-oxoethoxy]-1-oxo-2-isoquinolinyl]methyl]benzoic acid IUPAC Name: 4-[[7-[2-(3-fluorophenyl)acetyl]oxy-1-oxoisoquinolin-2-yl]methyl]benzoic acid Traditional Name: 4-[[7-[2-(3-fluorophenyl)acetyl]oxy-1-keto-2-isoquinolyl]methyl]benzoic acid Formula: C25H18FNO5 MolecularWeight: 431.412523

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)F)CC(=O)OC2=CC3=C(C=C2)C=CN(C3=O)CC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)F)CC(=O)OC2=CC3=C(C=C2)C=CN(C3=O)CC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C25H18FNO5/c26-20-3-1-2-17(12-20)13-23(28)32-21-9-8-18-10-11-27(24(29)22(18)14-21)15-16-4-6-19(7-5-16)25(30)31/h1-12,14H,13,15H2,(H,30,31)