[2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-butanoate

Systemtic Name: [2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-butanoate Openeye Name: [2-(3-bromo-4-methoxy-phenyl)-2-oxo-ethyl] 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-butanoate CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoic acid [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoate Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-keto-butyric acid [2-(3-bromo-4-methoxy-phenyl)-2-keto-ethyl] ester Formula: C21H19BrO7 MolecularWeight: 463.27536

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)COC(=O)CCC(=O)C2=CC3=C(C=C2)OCCO3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)COC(=O)CCC(=O)C2=CC3=C(C=C2)OCCO3)Br

InChI

InChI=1S/C21H19BrO7/c1-26-18-5-2-13(10-15(18)22)17(24)12-29-21(25)7-4-16(23)14-3-6-19-20(11-14)28-9-8-27-19/h2-3,5-6,10-11H,4,7-9,12H2,1H3