methyl (2S)-3-(4-acetyloxy-3-iodanyl-phenyl)-2-formamido-propanoate

Systemtic Name: methyl (2S)-3-(4-acetyloxy-3-iodanyl-phenyl)-2-formamido-propanoate Openeye Name: methyl (2S)-3-(4-acetoxy-3-iodo-phenyl)-2-formamido-propanoate CAS Name: (2S)-3-(4-acetyloxy-3-iodophenyl)-2-formamidopropanoic acid methyl ester IUPAC Name: methyl (2S)-3-(4-acetyloxy-3-iodophenyl)-2-formamidopropanoate Traditional Name: (2S)-3-(4-acetoxy-3-iodo-phenyl)-2-formamido-propionic acid methyl ester Formula: C13H14INO5 MolecularWeight: 391.15843

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)CC(C(=O)OC)NC=O)I

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)C[C@@H](C(=O)OC)NC=O)I

InChI

InChI=1S/C13H14INO5/c1-8(17)20-12-4-3-9(5-10(12)14)6-11(15-7-16)13(18)19-2/h3-5,7,11H,6H2,1-2H3,(H,15,16)/t11-/m0/s1