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

Systemtic Name: [2-(4-methoxyphenyl)-2-oxidanylidene-ethyl] 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-butanoate Openeye Name: [2-(4-methoxyphenyl)-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-(4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methoxyphenyl)-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-keto-2-(4-methoxyphenyl)ethyl] ester Formula: C22H22O7 MolecularWeight: 398.40588

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)COC(=O)CCC(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)COC(=O)CCC(=O)C2=CC3=C(C=C2)OCCCO3

InChI

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