ethyl 6-iodanyl-2-[2-[4-(phenylmethyl)piperazin-1-yl]ethyl]hexanoate

Systemtic Name: ethyl 6-iodanyl-2-[2-[4-(phenylmethyl)piperazin-1-yl]ethyl]hexanoate Openeye Name: ethyl 2-[2-(4-benzylpiperazin-1-yl)ethyl]-6-iodo-hexanoate CAS Name: 6-iodo-2-[2-[4-(phenylmethyl)-1-piperazinyl]ethyl]hexanoic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-benzylpiperazin-1-yl)ethyl]-6-iodohexanoate Traditional Name: 2-[2-(4-benzylpiperazino)ethyl]-6-iodo-hexanoic acid ethyl ester Formula: C21H33IN2O2 MolecularWeight: 472.40339

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCCI)CCN1CCN(CC1)CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C(CCCCI)CCN1CCN(CC1)CC2=CC=CC=C2

InChI

InChI=1S/C21H33IN2O2/c1-2-26-21(25)20(10-6-7-12-22)11-13-23-14-16-24(17-15-23)18-19-8-4-3-5-9-19/h3-5,8-9,20H,2,6-7,10-18H2,1H3