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

Systemtic Name: 3-[(2R)-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-propyl-piperazin-1-yl]benzoic acid Openeye Name: 3-[(2R)-4-tert-butoxycarbonyl-2-propyl-piperazin-1-yl]benzoic acid CAS Name: 3-[(2R)-4-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-propyl-1-piperazinyl]benzoic acid IUPAC Name: 3-[(2R)-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-propylpiperazin-1-yl]benzoic acid Traditional Name: 3-[(2R)-4-tert-butoxycarbonyl-2-propyl-piperazino]benzoic acid Formula: C19H28N2O4 MolecularWeight: 348.43662

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CN(CCN1C2=CC=CC(=C2)C(=O)O)C(=O)OC(C)(C)C

Isomeric SMILES

CCC[C@@H]1CN(CCN1C2=CC=CC(=C2)C(=O)O)C(=O)OC(C)(C)C

InChI

InChI=1S/C19H28N2O4/c1-5-7-16-13-20(18(24)25-19(2,3)4)10-11-21(16)15-9-6-8-14(12-15)17(22)23/h6,8-9,12,16H,5,7,10-11,13H2,1-4H3,(H,22,23)/t16-/m1/s1