3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid

Systemtic Name: 3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid Openeye Name: 3-(4-tert-butoxycarbonylpiperazin-1-yl)benzoic acid CAS Name: 3-[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazinyl]benzoic acid IUPAC Name: 3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid Traditional Name: 3-(4-tert-butoxycarbonylpiperazino)benzoic acid Formula: C16H22N2O4 MolecularWeight: 306.35688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O4/c1-16(2,3)22-15(21)18-9-7-17(8-10-18)13-6-4-5-12(11-13)14(19)20/h4-6,11H,7-10H2,1-3H3,(H,19,20)