[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 2-iodanylbenzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 2-iodanylbenzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(propylamino)ethyl] 2-iodobenzoate CAS Name: 2-iodobenzoic acid [(2S)-1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propylamino)propan-2-yl] 2-iodobenzoate Traditional Name: 2-iodobenzoic acid [(1S)-2-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C13H16INO3 MolecularWeight: 361.17551

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)OC(=O)C1=CC=CC=C1I

Isomeric SMILES

CCCNC(=O)[C@H](C)OC(=O)C1=CC=CC=C1I

InChI

InChI=1S/C13H16INO3/c1-3-8-15-12(16)9(2)18-13(17)10-6-4-5-7-11(10)14/h4-7,9H,3,8H2,1-2H3,(H,15,16)/t9-/m0/s1