methyl 4-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-butanoyl]oxymethyl]benzoate

Systemtic Name: methyl 4-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-butanoyl]oxymethyl]benzoate Openeye Name: methyl 4-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-butanoyl]oxymethyl]benzoate CAS Name: 4-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,4-dioxobutoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanoyl]oxymethyl]benzoate Traditional Name: 4-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-keto-butanoyl]oxymethyl]benzoic acid methyl ester Formula: C22H22O7 MolecularWeight: 398.40588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)COC(=O)CCC(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)COC(=O)CCC(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C22H22O7/c1-26-22(25)16-5-3-15(4-6-16)14-29-21(24)10-8-18(23)17-7-9-19-20(13-17)28-12-2-11-27-19/h3-7,9,13H,2,8,10-12,14H2,1H3