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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CCN1CC2=CC=CC(=C2)C(=O)O)C(=O)OC(C)(C)C

Isomeric SMILES

CC[C@@H]1CN(CCN1CC2=CC=CC(=C2)C(=O)O)C(=O)OC(C)(C)C

InChI

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