phenacyl 2-(3-methoxypropyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: phenacyl 2-(3-methoxypropyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: phenacyl 2-(3-methoxypropyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(3-methoxypropyl)-1,3-dioxo-5-isoindolecarboxylic acid phenacyl ester IUPAC Name: phenacyl 2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-(3-methoxypropyl)isoindoline-5-carboxylic acid phenacyl ester Formula: C21H19NO6 MolecularWeight: 381.37866

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC(=O)C3=CC=CC=C3

Isomeric SMILES

COCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H19NO6/c1-27-11-5-10-22-19(24)16-9-8-15(12-17(16)20(22)25)21(26)28-13-18(23)14-6-3-2-4-7-14/h2-4,6-9,12H,5,10-11,13H2,1H3