methyl (2S)-2-[4-(2-iodanylphenyl)butylamino]-3-oxidanyl-propanoate

Systemtic Name: methyl (2S)-2-[4-(2-iodanylphenyl)butylamino]-3-oxidanyl-propanoate Openeye Name: methyl (2S)-3-hydroxy-2-[4-(2-iodophenyl)butylamino]propanoate CAS Name: (2S)-3-hydroxy-2-[4-(2-iodophenyl)butylamino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-hydroxy-2-[4-(2-iodophenyl)butylamino]propanoate Traditional Name: (2S)-3-hydroxy-2-[4-(2-iodophenyl)butylamino]propionic acid methyl ester Formula: C14H20INO3 MolecularWeight: 377.21797

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CO)NCCCCC1=CC=CC=C1I

Isomeric SMILES

COC(=O)[C@H](CO)NCCCCC1=CC=CC=C1I

InChI

InChI=1S/C14H20INO3/c1-19-14(18)13(10-17)16-9-5-4-7-11-6-2-3-8-12(11)15/h2-3,6,8,13,16-17H,4-5,7,9-10H2,1H3/t13-/m0/s1