[4-(4-fluorophenyl)-4-oxidanylidene-butyl] 1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindole-5-carboxylate

Systemtic Name: [4-(4-fluorophenyl)-4-oxidanylidene-butyl] 1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindole-5-carboxylate Openeye Name: [4-(4-fluorophenyl)-4-oxo-butyl] 2-allyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-prop-2-enyl-5-isoindolecarboxylic acid [4-(4-fluorophenyl)-4-oxobutyl] ester IUPAC Name: [4-(4-fluorophenyl)-4-oxobutyl] 1,3-dioxo-2-prop-2-enylisoindole-5-carboxylate Traditional Name: 2-allyl-1,3-diketo-isoindoline-5-carboxylic acid [4-(4-fluorophenyl)-4-keto-butyl] ester Formula: C22H18FNO5 MolecularWeight: 395.380423

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCCCC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C=CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCCCC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H18FNO5/c1-2-11-24-20(26)17-10-7-15(13-18(17)21(24)27)22(28)29-12-3-4-19(25)14-5-8-16(23)9-6-14/h2,5-10,13H,1,3-4,11-12H2