[1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl] 2-iodanylbenzoate

Systemtic Name: [1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl] 2-iodanylbenzoate Openeye Name: [2-(4-benzylpiperazin-1-yl)-1-methyl-2-oxo-ethyl] 2-iodobenzoate CAS Name: 2-iodobenzoic acid [1-oxo-1-[4-(phenylmethyl)-1-piperazinyl]propan-2-yl] ester IUPAC Name: [1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 2-iodobenzoate Traditional Name: 2-iodobenzoic acid [2-(4-benzylpiperazino)-2-keto-1-methyl-ethyl] ester Formula: C21H23IN2O3 MolecularWeight: 478.32339

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)OC(=O)C3=CC=CC=C3I

Isomeric SMILES

CC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)OC(=O)C3=CC=CC=C3I

InChI

InChI=1S/C21H23IN2O3/c1-16(27-21(26)18-9-5-6-10-19(18)22)20(25)24-13-11-23(12-14-24)15-17-7-3-2-4-8-17/h2-10,16H,11-15H2,1H3