tert-butyl 4-[4-(4-iodanyl-2-oxidanylidene-piperazin-1-yl)phenoxy]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-(4-iodanyl-2-oxidanylidene-piperazin-1-yl)phenoxy]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-(4-iodo-2-oxo-piperazin-1-yl)phenoxy]piperidine-1-carboxylate CAS Name: 4-[4-(4-iodo-2-oxo-1-piperazinyl)phenoxy]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(4-iodo-2-oxopiperazin-1-yl)phenoxy]piperidine-1-carboxylate Traditional Name: 4-[4-(4-iodo-2-keto-piperazino)phenoxy]piperidine-1-carboxylic acid tert-butyl ester Formula: C20H28IN3O4 MolecularWeight: 501.35849

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)OC2=CC=C(C=C2)N3CCN(CC3=O)I

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)OC2=CC=C(C=C2)N3CCN(CC3=O)I

InChI

InChI=1S/C20H28IN3O4/c1-20(2,3)28-19(26)22-10-8-17(9-11-22)27-16-6-4-15(5-7-16)24-13-12-23(21)14-18(24)25/h4-7,17H,8-14H2,1-3H3