[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl] 3-iodanylbenzoate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl] 3-iodanylbenzoate Openeye Name: [2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl] 3-iodobenzoate CAS Name: 3-iodobenzoic acid [2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 3-iodobenzoate Traditional Name: 3-iodobenzoic acid [2-(4-benzylpiperazino)-2-keto-ethyl] ester Formula: C20H21IN2O3 MolecularWeight: 464.29681

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)COC(=O)C3=CC(=CC=C3)I

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)COC(=O)C3=CC(=CC=C3)I

InChI

InChI=1S/C20H21IN2O3/c21-18-8-4-7-17(13-18)20(25)26-15-19(24)23-11-9-22(10-12-23)14-16-5-2-1-3-6-16/h1-8,13H,9-12,14-15H2