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

Systemtic Name: 3-[[(2R)-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-propan-2-yl-piperazin-1-yl]methyl]benzoic acid Openeye Name: 3-[[(2R)-4-tert-butoxycarbonyl-2-isopropyl-piperazin-1-yl]methyl]benzoic acid CAS Name: 3-[[(2R)-4-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-propan-2-yl-1-piperazinyl]methyl]benzoic acid IUPAC Name: 3-[[(2R)-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-propan-2-ylpiperazin-1-yl]methyl]benzoic acid Traditional Name: 3-[[(2R)-4-tert-butoxycarbonyl-2-isopropyl-piperazino]methyl]benzoic acid Formula: C20H30N2O4 MolecularWeight: 362.4632

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CN(CCN1CC2=CC=CC(=C2)C(=O)O)C(=O)OC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O4/c1-14(2)17-13-22(19(25)26-20(3,4)5)10-9-21(17)12-15-7-6-8-16(11-15)18(23)24/h6-8,11,14,17H,9-10,12-13H2,1-5H3,(H,23,24)/t17-/m0/s1