[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxidanylidene-ethyl] 3-(2-oxidanylidenepyrrolidin-1-yl)benzoate

Systemtic Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxidanylidene-ethyl] 3-(2-oxidanylidenepyrrolidin-1-yl)benzoate Openeye Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxo-ethyl] 3-(2-oxopyrrolidin-1-yl)benzoate CAS Name: 3-(2-oxo-1-pyrrolidinyl)benzoic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate Traditional Name: 3-(2-ketopyrrolidino)benzoic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-keto-ethyl] ester Formula: C22H21NO6 MolecularWeight: 395.40524

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=CC(=C2)C(=O)OCC(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=CC(=C2)C(=O)OCC(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C22H21NO6/c24-18(15-7-8-19-20(13-15)28-11-3-10-27-19)14-29-22(26)16-4-1-5-17(12-16)23-9-2-6-21(23)25/h1,4-5,7-8,12-13H,2-3,6,9-11,14H2