[2-oxidanylidene-2-[[(1R)-1-phenylethyl]amino]ethyl] 4-iodanylbenzoate

Systemtic Name: [2-oxidanylidene-2-[[(1R)-1-phenylethyl]amino]ethyl] 4-iodanylbenzoate Openeye Name: [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 4-iodobenzoate CAS Name: 4-iodobenzoic acid [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 4-iodobenzoate Traditional Name: 4-iodobenzoic acid [2-keto-2-[[(1R)-1-phenylethyl]amino]ethyl] ester Formula: C17H16INO3 MolecularWeight: 409.21831

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16INO3/c1-12(13-5-3-2-4-6-13)19-16(20)11-22-17(21)14-7-9-15(18)10-8-14/h2-10,12H,11H2,1H3,(H,19,20)/t12-/m1/s1