methyl 2-(1,4-dioxaspiro[4.5]dec-8-en-8-yl)-4-(2-iodanyl-5-methoxy-phenyl)butanoate

Systemtic Name: methyl 2-(1,4-dioxaspiro[4.5]dec-8-en-8-yl)-4-(2-iodanyl-5-methoxy-phenyl)butanoate Openeye Name: methyl 2-(1,4-dioxaspiro[4.5]dec-8-en-8-yl)-4-(2-iodo-5-methoxy-phenyl)butanoate CAS Name: 2-(1,4-dioxaspiro[4.5]dec-8-en-8-yl)-4-(2-iodo-5-methoxyphenyl)butanoic acid methyl ester IUPAC Name: methyl 2-(1,4-dioxaspiro[4.5]dec-8-en-8-yl)-4-(2-iodo-5-methoxyphenyl)butanoate Traditional Name: 2-(1,4-dioxaspiro[4.5]dec-8-en-8-yl)-4-(2-iodo-5-methoxy-phenyl)butyric acid methyl ester Formula: C20H25IO5 MolecularWeight: 472.31397

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)I)CCC(C2=CCC3(CC2)OCCO3)C(=O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)I)CCC(C2=CCC3(CC2)OCCO3)C(=O)OC

InChI

InChI=1S/C20H25IO5/c1-23-16-4-6-18(21)15(13-16)3-5-17(19(22)24-2)14-7-9-20(10-8-14)25-11-12-26-20/h4,6-7,13,17H,3,5,8-12H2,1-2H3