2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate CAS Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-carboxylic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-carboxylic acid 2-phthalimidoethyl ester Formula: C20H17NO6 MolecularWeight: 367.35208

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)OCCN3C(=O)C4=CC=CC=C4C3=O)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)OCCN3C(=O)C4=CC=CC=C4C3=O)OC1

InChI

InChI=1S/C20H17NO6/c22-18-14-4-1-2-5-15(14)19(23)21(18)8-11-27-20(24)13-6-7-16-17(12-13)26-10-3-9-25-16/h1-2,4-7,12H,3,8-11H2