pentyl 2-[1-(2-iodanylphenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: pentyl 2-[1-(2-iodanylphenyl)carbonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: pentyl 2-[1-(2-iodobenzoyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(2-iodophenyl)-oxomethyl]-3-oxo-2-piperazinyl]acetic acid pentyl ester IUPAC Name: pentyl 2-[1-(2-iodobenzoyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(2-iodobenzoyl)-3-keto-piperazin-2-yl]acetic acid amyl ester Formula: C18H23IN2O4 MolecularWeight: 458.29069

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)CC1C(=O)NCCN1C(=O)C2=CC=CC=C2I

Isomeric SMILES

CCCCCOC(=O)CC1C(=O)NCCN1C(=O)C2=CC=CC=C2I

InChI

InChI=1S/C18H23IN2O4/c1-2-3-6-11-25-16(22)12-15-17(23)20-9-10-21(15)18(24)13-7-4-5-8-14(13)19/h4-5,7-8,15H,2-3,6,9-12H2,1H3,(H,20,23)