(2-oxidanylidene-2-propan-2-yloxy-ethyl) 2-(4-fluorophenyl)-1-oxidanylidene-isoquinoline-4-carboxylate

Systemtic Name: (2-oxidanylidene-2-propan-2-yloxy-ethyl) 2-(4-fluorophenyl)-1-oxidanylidene-isoquinoline-4-carboxylate Openeye Name: (2-isopropoxy-2-oxo-ethyl) 2-(4-fluorophenyl)-1-oxo-isoquinoline-4-carboxylate CAS Name: 2-(4-fluorophenyl)-1-oxo-4-isoquinolinecarboxylic acid (2-oxo-2-propan-2-yloxyethyl) ester IUPAC Name: (2-oxo-2-propan-2-yloxyethyl) 2-(4-fluorophenyl)-1-oxoisoquinoline-4-carboxylate Traditional Name: 2-(4-fluorophenyl)-1-keto-isoquinoline-4-carboxylic acid (2-isopropoxy-2-keto-ethyl) ester Formula: C21H18FNO5 MolecularWeight: 383.369723

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)COC(=O)C1=CN(C(=O)C2=CC=CC=C21)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)OC(=O)COC(=O)C1=CN(C(=O)C2=CC=CC=C21)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H18FNO5/c1-13(2)28-19(24)12-27-21(26)18-11-23(15-9-7-14(22)8-10-15)20(25)17-6-4-3-5-16(17)18/h3-11,13H,12H2,1-2H3