3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl 4-(3,5-dimethoxyphenyl)piperazine-1-carboxylate

Systemtic Name: 3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl 4-(3,5-dimethoxyphenyl)piperazine-1-carboxylate Openeye Name: 3-(tert-butoxycarbonylamino)propyl 4-(3,5-dimethoxyphenyl)piperazine-1-carboxylate CAS Name: 4-(3,5-dimethoxyphenyl)-1-piperazinecarboxylic acid 3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propyl ester IUPAC Name: 3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl 4-(3,5-dimethoxyphenyl)piperazine-1-carboxylate Traditional Name: 4-(3,5-dimethoxyphenyl)piperazine-1-carboxylic acid 3-(tert-butoxycarbonylamino)propyl ester Formula: C21H33N3O6 MolecularWeight: 423.50322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCOC(=O)N1CCN(CC1)C2=CC(=CC(=C2)OC)OC

Isomeric SMILES

CC(C)(C)OC(=O)NCCCOC(=O)N1CCN(CC1)C2=CC(=CC(=C2)OC)OC

InChI

InChI=1S/C21H33N3O6/c1-21(2,3)30-19(25)22-7-6-12-29-20(26)24-10-8-23(9-11-24)16-13-17(27-4)15-18(14-16)28-5/h13-15H,6-12H2,1-5H3,(H,22,25)