[2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 3-iodanylbenzoate

Systemtic Name: [2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 3-iodanylbenzoate Openeye Name: [2-oxo-2-(p-tolylmethylamino)ethyl] 3-iodobenzoate CAS Name: 3-iodobenzoic acid [2-[(4-methylphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 3-iodobenzoate Traditional Name: 3-iodobenzoic acid [2-keto-2-[(4-methylbenzyl)amino]ethyl] ester Formula: C17H16INO3 MolecularWeight: 409.21831

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)COC(=O)C2=CC(=CC=C2)I

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)COC(=O)C2=CC(=CC=C2)I

InChI

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