(6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 3-(3,4-dimethoxyphenyl)propanoate

Systemtic Name: (6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 3-(3,4-dimethoxyphenyl)propanoate Openeye Name: (6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 3-(3,4-dimethoxyphenyl)propanoate CAS Name: 3-(3,4-dimethoxyphenyl)propanoic acid (6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 3-(3,4-dimethoxyphenyl)propanoate Traditional Name: 3-(3,4-dimethoxyphenyl)propionic acid (6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C26H25FO6 MolecularWeight: 452.471503

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)OCC2=C3C(=CC(=C2)F)COC(O3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)OCC2=C3C(=CC(=C2)F)COC(O3)C4=CC=CC=C4)OC

InChI

InChI=1S/C26H25FO6/c1-29-22-10-8-17(12-23(22)30-2)9-11-24(28)31-15-19-13-21(27)14-20-16-32-26(33-25(19)20)18-6-4-3-5-7-18/h3-8,10,12-14,26H,9,11,15-16H2,1-2H3