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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CCN1C(=O)OC(C)(C)C)CC2=CC=CC=C2C(=O)O

Isomeric SMILES

CC[C@@H]1CN(CCN1C(=O)OC(C)(C)C)CC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C19H28N2O4/c1-5-15-13-20(10-11-21(15)18(24)25-19(2,3)4)12-14-8-6-7-9-16(14)17(22)23/h6-9,15H,5,10-13H2,1-4H3,(H,22,23)/t15-/m1/s1