(2-benzamido-2-oxidanylidene-ethyl) 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-butanoate

Systemtic Name: (2-benzamido-2-oxidanylidene-ethyl) 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-butanoate Openeye Name: (2-benzamido-2-oxo-ethyl) 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-butanoate CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanoic acid (2-benzamido-2-oxoethyl) ester IUPAC Name: (2-benzamido-2-oxoethyl) 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanoate Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-keto-butyric acid (2-benzamido-2-keto-ethyl) ester Formula: C22H21NO7 MolecularWeight: 411.40464

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)CCC(=O)OCC(=O)NC(=O)C3=CC=CC=C3)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)CCC(=O)OCC(=O)NC(=O)C3=CC=CC=C3)OC1

InChI

InChI=1S/C22H21NO7/c24-17(16-7-9-18-19(13-16)29-12-4-11-28-18)8-10-21(26)30-14-20(25)23-22(27)15-5-2-1-3-6-15/h1-3,5-7,9,13H,4,8,10-12,14H2,(H,23,25,27)