methyl 3-iodanyl-5-[4-(phenylmethyl)piperazin-1-yl]carbonyl-benzoate

Systemtic Name: methyl 3-iodanyl-5-[4-(phenylmethyl)piperazin-1-yl]carbonyl-benzoate Openeye Name: methyl 3-(4-benzylpiperazine-1-carbonyl)-5-iodo-benzoate CAS Name: 3-iodo-5-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-(4-benzylpiperazine-1-carbonyl)-5-iodobenzoate Traditional Name: 3-(4-benzylpiperazine-1-carbonyl)-5-iodo-benzoic acid methyl ester Formula: C20H21IN2O3 MolecularWeight: 464.29681

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)N2CCN(CC2)CC3=CC=CC=C3)I

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)N2CCN(CC2)CC3=CC=CC=C3)I

InChI

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