methyl 2-[2-ethyl-5-[3-iodanyl-4-(4-methoxyphenyl)-4-oxidanylidene-butanoyl]pyrrol-1-yl]ethanoate

Systemtic Name: methyl 2-[2-ethyl-5-[3-iodanyl-4-(4-methoxyphenyl)-4-oxidanylidene-butanoyl]pyrrol-1-yl]ethanoate Openeye Name: methyl 2-[2-ethyl-5-[3-iodo-4-(4-methoxyphenyl)-4-oxo-butanoyl]pyrrol-1-yl]acetate CAS Name: 2-[2-ethyl-5-[3-iodo-4-(4-methoxyphenyl)-1,4-dioxobutyl]-1-pyrrolyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-ethyl-5-[3-iodo-4-(4-methoxyphenyl)-4-oxobutanoyl]pyrrol-1-yl]acetate Traditional Name: 2-[2-ethyl-5-[3-iodo-4-keto-4-(4-methoxyphenyl)butanoyl]pyrrol-1-yl]acetic acid methyl ester Formula: C20H22INO5 MolecularWeight: 483.29685

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(N1CC(=O)OC)C(=O)CC(C(=O)C2=CC=C(C=C2)OC)I

Isomeric SMILES

CCC1=CC=C(N1CC(=O)OC)C(=O)CC(C(=O)C2=CC=C(C=C2)OC)I

InChI

InChI=1S/C20H22INO5/c1-4-14-7-10-17(22(14)12-19(24)27-3)18(23)11-16(21)20(25)13-5-8-15(26-2)9-6-13/h5-10,16H,4,11-12H2,1-3H3