[1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] 3-iodanylbenzoate

Systemtic Name: [1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] 3-iodanylbenzoate Openeye Name: [1-methyl-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 3-iodobenzoate CAS Name: 3-iodobenzoic acid [1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl] ester IUPAC Name: [1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] 3-iodobenzoate Traditional Name: 3-iodobenzoic acid [2-keto-1-methyl-2-(4-phenylpiperazino)ethyl] ester Formula: C20H21IN2O3 MolecularWeight: 464.29681

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)OC(=O)C3=CC(=CC=C3)I

Isomeric SMILES

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)OC(=O)C3=CC(=CC=C3)I

InChI

InChI=1S/C20H21IN2O3/c1-15(26-20(25)16-6-5-7-17(21)14-16)19(24)23-12-10-22(11-13-23)18-8-3-2-4-9-18/h2-9,14-15H,10-13H2,1H3