tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(5-phenylpiperazin-2-yl)carbonyl-carbamate

Systemtic Name: tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(5-phenylpiperazin-2-yl)carbonyl-carbamate Openeye Name: tert-butyl N-tert-butoxycarbonyl-N-(5-phenylpiperazine-2-carbonyl)carbamate CAS Name: N-[(2-methylpropan-2-yl)oxy-oxomethyl]-N-[oxo-(5-phenyl-2-piperazinyl)methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(5-phenylpiperazine-2-carbonyl)carbamate Traditional Name: N-tert-butoxycarbonyl-N-(5-phenylpiperazine-2-carbonyl)carbamic acid tert-butyl ester Formula: C21H31N3O5 MolecularWeight: 405.48794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C(=O)C1CNC(CN1)C2=CC=CC=C2)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)N(C(=O)C1CNC(CN1)C2=CC=CC=C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H31N3O5/c1-20(2,3)28-18(26)24(19(27)29-21(4,5)6)17(25)16-13-22-15(12-23-16)14-10-8-7-9-11-14/h7-11,15-16,22-23H,12-13H2,1-6H3