4-[4-(2,2-dimethylpropoxycarbonyl)piperazin-1-yl]benzoic acid

Systemtic Name: 4-[4-(2,2-dimethylpropoxycarbonyl)piperazin-1-yl]benzoic acid Openeye Name: 4-[4-(2,2-dimethylpropoxycarbonyl)piperazin-1-yl]benzoic acid CAS Name: 4-[4-[2,2-dimethylpropoxy(oxo)methyl]-1-piperazinyl]benzoic acid IUPAC Name: 4-[4-(2,2-dimethylpropoxycarbonyl)piperazin-1-yl]benzoic acid Traditional Name: 4-(4-neopentyloxycarbonylpiperazino)benzoic acid Formula: C17H24N2O4 MolecularWeight: 320.38346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O4/c1-17(2,3)12-23-16(22)19-10-8-18(9-11-19)14-6-4-13(5-7-14)15(20)21/h4-7H,8-12H2,1-3H3,(H,20,21)