[(2S)-1-[methyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-iodanylbenzoate

Systemtic Name: [(2S)-1-[methyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-iodanylbenzoate Openeye Name: [(1S)-1-methyl-2-(N-methylanilino)-2-oxo-ethyl] 4-iodobenzoate CAS Name: 4-iodobenzoic acid [(2S)-1-(N-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(N-methylanilino)-1-oxopropan-2-yl] 4-iodobenzoate Traditional Name: 4-iodobenzoic acid [(1S)-2-keto-1-methyl-2-(N-methylanilino)ethyl] ester Formula: C17H16INO3 MolecularWeight: 409.21831

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)I

Isomeric SMILES

C[C@@H](C(=O)N(C)C1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)I

InChI

InChI=1S/C17H16INO3/c1-12(16(20)19(2)15-6-4-3-5-7-15)22-17(21)13-8-10-14(18)11-9-13/h3-12H,1-2H3/t12-/m0/s1