[2-[1-(2-methylphenyl)ethylamino]-2-oxidanylidene-ethyl] 4-iodanylbenzoate

Systemtic Name: [2-[1-(2-methylphenyl)ethylamino]-2-oxidanylidene-ethyl] 4-iodanylbenzoate Openeye Name: [2-[1-(o-tolyl)ethylamino]-2-oxo-ethyl] 4-iodobenzoate CAS Name: 4-iodobenzoic acid [2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl] 4-iodobenzoate Traditional Name: 4-iodobenzoic acid [2-keto-2-[1-(o-tolyl)ethylamino]ethyl] ester Formula: C18H18INO3 MolecularWeight: 423.24489

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C)NC(=O)COC(=O)C2=CC=C(C=C2)I

Isomeric SMILES

CC1=CC=CC=C1C(C)NC(=O)COC(=O)C2=CC=C(C=C2)I

InChI

InChI=1S/C18H18INO3/c1-12-5-3-4-6-16(12)13(2)20-17(21)11-23-18(22)14-7-9-15(19)10-8-14/h3-10,13H,11H2,1-2H3,(H,20,21)