methyl 2-(4-chlorophenyl)-2-[4-(3-iodanylphenyl)carbonylpiperazin-1-yl]ethanoate

Systemtic Name: methyl 2-(4-chlorophenyl)-2-[4-(3-iodanylphenyl)carbonylpiperazin-1-yl]ethanoate Openeye Name: methyl 2-(4-chlorophenyl)-2-[4-(3-iodobenzoyl)piperazin-1-yl]acetate CAS Name: 2-(4-chlorophenyl)-2-[4-[(3-iodophenyl)-oxomethyl]-1-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-(4-chlorophenyl)-2-[4-(3-iodobenzoyl)piperazin-1-yl]acetate Traditional Name: 2-(4-chlorophenyl)-2-[4-(3-iodobenzoyl)piperazino]acetic acid methyl ester Formula: C20H20ClIN2O3 MolecularWeight: 498.74187

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClIN2O3/c1-27-20(26)18(14-5-7-16(21)8-6-14)23-9-11-24(12-10-23)19(25)15-3-2-4-17(22)13-15/h2-8,13,18H,9-12H2,1H3