tert-butyl 2-[5-[(4-iodophenyl)methyl]-2-methyl-3,6-bis(oxidanylidene)piperazin-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[5-[(4-iodophenyl)methyl]-2-methyl-3,6-bis(oxidanylidene)piperazin-1-yl]ethanoate Openeye Name: tert-butyl 2-[5-[(4-iodophenyl)methyl]-2-methyl-3,6-dioxo-piperazin-1-yl]acetate CAS Name: 2-[5-[(4-iodophenyl)methyl]-2-methyl-3,6-dioxo-1-piperazinyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[5-[(4-iodophenyl)methyl]-2-methyl-3,6-dioxopiperazin-1-yl]acetate Traditional Name: 2-[3-(4-iodobenzyl)-2,5-diketo-6-methyl-piperazino]acetic acid tert-butyl ester Formula: C18H23IN2O4 MolecularWeight: 458.29069

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC(C(=O)N1CC(=O)OC(C)(C)C)CC2=CC=C(C=C2)I

Isomeric SMILES

CC1C(=O)NC(C(=O)N1CC(=O)OC(C)(C)C)CC2=CC=C(C=C2)I

InChI

InChI=1S/C18H23IN2O4/c1-11-16(23)20-14(9-12-5-7-13(19)8-6-12)17(24)21(11)10-15(22)25-18(2,3)4/h5-8,11,14H,9-10H2,1-4H3,(H,20,23)