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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CN(CCN1C(=O)OC(C)(C)C)C2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CC(C)[C@@H]1CN(CCN1C(=O)OC(C)(C)C)C2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C19H28N2O4/c1-13(2)16-12-20(15-8-6-7-14(11-15)17(22)23)9-10-21(16)18(24)25-19(3,4)5/h6-8,11,13,16H,9-10,12H2,1-5H3,(H,22,23)/t16-/m0/s1