1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(pyridin-3-ylmethyl)piperazine-2-carboxylic acid

Systemtic Name: 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(pyridin-3-ylmethyl)piperazine-2-carboxylic acid Openeye Name: 1-tert-butoxycarbonyl-4-(3-pyridylmethyl)piperazine-2-carboxylic acid CAS Name: 1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-(3-pyridinylmethyl)-2-piperazinecarboxylic acid IUPAC Name: 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(pyridin-3-ylmethyl)piperazine-2-carboxylic acid Traditional Name: 1-tert-butoxycarbonyl-4-(3-pyridylmethyl)piperazine-2-carboxylic acid Formula: C16H23N3O4 MolecularWeight: 321.37152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1C(=O)O)CC2=CN=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1C(=O)O)CC2=CN=CC=C2

InChI

InChI=1S/C16H23N3O4/c1-16(2,3)23-15(22)19-8-7-18(11-13(19)14(20)21)10-12-5-4-6-17-9-12/h4-6,9,13H,7-8,10-11H2,1-3H3,(H,20,21)