(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-butanoate

Systemtic Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-butanoate Openeye Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 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 (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester IUPAC Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 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 (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester Formula: C22H20N2O6 MolecularWeight: 408.404

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)CCC(=O)OCC3=NN=C(O3)C4=CC=CC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)CCC(=O)OCC3=NN=C(O3)C4=CC=CC=C4)OC1

InChI

InChI=1S/C22H20N2O6/c25-17(16-7-9-18-19(13-16)28-12-4-11-27-18)8-10-21(26)29-14-20-23-24-22(30-20)15-5-2-1-3-6-15/h1-3,5-7,9,13H,4,8,10-12,14H2