tert-butyl 4-[2-(3-iodanylpropoxy)phenyl]-3-oxidanylidene-piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(3-iodanylpropoxy)phenyl]-3-oxidanylidene-piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-(3-iodopropoxy)phenyl]-3-oxo-piperazine-1-carboxylate CAS Name: 4-[2-(3-iodopropoxy)phenyl]-3-oxo-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(3-iodopropoxy)phenyl]-3-oxopiperazine-1-carboxylate Traditional Name: 4-[2-(3-iodopropoxy)phenyl]-3-keto-piperazine-1-carboxylic acid tert-butyl ester Formula: C18H25IN2O4 MolecularWeight: 460.30657

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(C(=O)C1)C2=CC=CC=C2OCCCI

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(C(=O)C1)C2=CC=CC=C2OCCCI

InChI

InChI=1S/C18H25IN2O4/c1-18(2,3)25-17(23)20-10-11-21(16(22)13-20)14-7-4-5-8-15(14)24-12-6-9-19/h4-5,7-8H,6,9-13H2,1-3H3