methyl 4-[4-[(3-iodanylphenyl)methyl]piperazin-1-yl]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[4-[(3-iodanylphenyl)methyl]piperazin-1-yl]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[4-[(3-iodophenyl)methyl]piperazin-1-yl]-4-oxo-butanoate CAS Name: 4-[4-[(3-iodophenyl)methyl]-1-piperazinyl]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[4-[(3-iodophenyl)methyl]piperazin-1-yl]-4-oxobutanoate Traditional Name: 4-[4-(3-iodobenzyl)piperazino]-4-keto-butyric acid methyl ester Formula: C16H21IN2O3 MolecularWeight: 416.25401

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)N1CCN(CC1)CC2=CC(=CC=C2)I

Isomeric SMILES

COC(=O)CCC(=O)N1CCN(CC1)CC2=CC(=CC=C2)I

InChI

InChI=1S/C16H21IN2O3/c1-22-16(21)6-5-15(20)19-9-7-18(8-10-19)12-13-3-2-4-14(17)11-13/h2-4,11H,5-10,12H2,1H3