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

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-butanoate Openeye Name: (3-fluoro-4-methoxy-phenyl)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 (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)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 (3-fluoro-4-methoxy-benzyl) ester Formula: C21H21FO6 MolecularWeight: 388.386243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21FO6/c1-25-18-6-3-14(11-16(18)22)13-28-21(24)8-5-17(23)15-4-7-19-20(12-15)27-10-2-9-26-19/h3-4,6-7,11-12H,2,5,8-10,13H2,1H3