ethyl 4-(3-iodanyl-5-phenylmethoxy-4-propoxy-phenyl)-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-(3-iodanyl-5-phenylmethoxy-4-propoxy-phenyl)-4-oxidanylidene-butanoate Openeye Name: ethyl 4-(3-benzyloxy-5-iodo-4-propoxy-phenyl)-4-oxo-butanoate CAS Name: 4-(3-iodo-5-phenylmethoxy-4-propoxyphenyl)-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-(3-iodo-5-phenylmethoxy-4-propoxyphenyl)-4-oxobutanoate Traditional Name: 4-(3-benzoxy-5-iodo-4-propoxy-phenyl)-4-keto-butyric acid ethyl ester Formula: C22H25IO5 MolecularWeight: 496.33537

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1I)C(=O)CCC(=O)OCC)OCC2=CC=CC=C2

Isomeric SMILES

CCCOC1=C(C=C(C=C1I)C(=O)CCC(=O)OCC)OCC2=CC=CC=C2

InChI

InChI=1S/C22H25IO5/c1-3-12-27-22-18(23)13-17(19(24)10-11-21(25)26-4-2)14-20(22)28-15-16-8-6-5-7-9-16/h5-9,13-14H,3-4,10-12,15H2,1-2H3