1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine-2-carboxylate

Systemtic Name: 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine-2-carboxylate Openeye Name: 1-tert-butoxycarbonyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine-2-carboxylate CAS Name: 1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-[(3,4,5-trimethoxyphenyl)methyl]-2-piperazinecarboxylate IUPAC Name: 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine-2-carboxylate Traditional Name: 1-tert-butoxycarbonyl-4-(3,4,5-trimethoxybenzyl)piperazine-2-carboxylate Formula: C20H29N2O7- MolecularWeight: 409.45346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1C(=O)[O-])CC2=CC(=C(C(=C2)OC)OC)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1C(=O)[O-])CC2=CC(=C(C(=C2)OC)OC)OC

InChI

InChI=1S/C20H30N2O7/c1-20(2,3)29-19(25)22-8-7-21(12-14(22)18(23)24)11-13-9-15(26-4)17(28-6)16(10-13)27-5/h9-10,14H,7-8,11-12H2,1-6H3,(H,23,24)/p-1