methyl (2S)-3-(3-iodanyl-4-oxidanyl-phenyl)-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: methyl (2S)-3-(3-iodanyl-4-oxidanyl-phenyl)-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: methyl (2S)-2-(benzyloxycarbonylamino)-3-(4-hydroxy-3-iodo-phenyl)propanoate CAS Name: (2S)-3-(4-hydroxy-3-iodophenyl)-2-(phenylmethoxycarbonylamino)propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(4-hydroxy-3-iodophenyl)-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-(4-hydroxy-3-iodo-phenyl)propionic acid methyl ester Formula: C18H18INO5 MolecularWeight: 455.24369

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC(=C(C=C1)O)I)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

COC(=O)[C@H](CC1=CC(=C(C=C1)O)I)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C18H18INO5/c1-24-17(22)15(10-13-7-8-16(21)14(19)9-13)20-18(23)25-11-12-5-3-2-4-6-12/h2-9,15,21H,10-11H2,1H3,(H,20,23)/t15-/m0/s1