[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl] 2-(3-fluorophenyl)-1-oxidanylidene-isoquinoline-4-carboxylate

Systemtic Name: [2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl] 2-(3-fluorophenyl)-1-oxidanylidene-isoquinoline-4-carboxylate Openeye Name: (2-tert-butoxy-2-oxo-ethyl) 2-(3-fluorophenyl)-1-oxo-isoquinoline-4-carboxylate CAS Name: 2-(3-fluorophenyl)-1-oxo-4-isoquinolinecarboxylic acid [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] ester IUPAC Name: [2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-(3-fluorophenyl)-1-oxoisoquinoline-4-carboxylate Traditional Name: 2-(3-fluorophenyl)-1-keto-isoquinoline-4-carboxylic acid (2-tert-butoxy-2-keto-ethyl) ester Formula: C22H20FNO5 MolecularWeight: 397.396303

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20FNO5/c1-22(2,3)29-19(25)13-28-21(27)18-12-24(15-8-6-7-14(23)11-15)20(26)17-10-5-4-9-16(17)18/h4-12H,13H2,1-3H3