[(2R)-1-(4-fluorophenyl)-1-oxidanylidene-propan-2-yl] 2-butyl-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: [(2R)-1-(4-fluorophenyl)-1-oxidanylidene-propan-2-yl] 2-butyl-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: [(1R)-2-(4-fluorophenyl)-1-methyl-2-oxo-ethyl] 2-butyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-butyl-1,3-dioxo-5-isoindolecarboxylic acid [(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-butyl-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-butyl-1,3-diketo-isoindoline-5-carboxylic acid [(1R)-2-(4-fluorophenyl)-2-keto-1-methyl-ethyl] ester Formula: C22H20FNO5 MolecularWeight: 397.396303

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OC(C)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)O[C@H](C)C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H20FNO5/c1-3-4-11-24-20(26)17-10-7-15(12-18(17)21(24)27)22(28)29-13(2)19(25)14-5-8-16(23)9-6-14/h5-10,12-13H,3-4,11H2,1-2H3/t13-/m1/s1