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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22O7/c1-26-22(25)17-5-2-4-15(12-17)14-29-21(24)9-7-18(23)16-6-8-19-20(13-16)28-11-3-10-27-19/h2,4-6,8,12-13H,3,7,9-11,14H2,1H3