ethyl 2-[8-iodanyl-4-methyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl]oxybutanoate

Systemtic Name: ethyl 2-[8-iodanyl-4-methyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl]oxybutanoate Openeye Name: ethyl 2-(3-benzyl-8-iodo-4-methyl-2-oxo-chromen-7-yl)oxybutanoate CAS Name: 2-[[8-iodo-4-methyl-2-oxo-3-(phenylmethyl)-1-benzopyran-7-yl]oxy]butanoic acid ethyl ester IUPAC Name: ethyl 2-(3-benzyl-8-iodo-4-methyl-2-oxochromen-7-yl)oxybutanoate Traditional Name: 2-(3-benzyl-8-iodo-2-keto-4-methyl-chromen-7-yl)oxybutyric acid ethyl ester Formula: C23H23IO5 MolecularWeight: 506.33019

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC)OC1=C(C2=C(C=C1)C(=C(C(=O)O2)CC3=CC=CC=C3)C)I

Isomeric SMILES

CCC(C(=O)OCC)OC1=C(C2=C(C=C1)C(=C(C(=O)O2)CC3=CC=CC=C3)C)I

InChI

InChI=1S/C23H23IO5/c1-4-18(23(26)27-5-2)28-19-12-11-16-14(3)17(13-15-9-7-6-8-10-15)22(25)29-21(16)20(19)24/h6-12,18H,4-5,13H2,1-3H3