3-[[(2R)-2-(2-methylpropyl)piperazin-1-yl]methyl]benzoic acid

Systemtic Name: 3-[[(2R)-2-(2-methylpropyl)piperazin-1-yl]methyl]benzoic acid Openeye Name: 3-[[(2R)-2-isobutylpiperazin-1-yl]methyl]benzoic acid CAS Name: 3-[[(2R)-2-(2-methylpropyl)-1-piperazinyl]methyl]benzoic acid IUPAC Name: 3-[[(2R)-2-(2-methylpropyl)piperazin-1-yl]methyl]benzoic acid Traditional Name: 3-[[(2R)-2-isobutylpiperazino]methyl]benzoic acid Formula: C16H24N2O2 MolecularWeight: 276.37396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1CNCCN1CC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CC(C)C[C@@H]1CNCCN1CC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C16H24N2O2/c1-12(2)8-15-10-17-6-7-18(15)11-13-4-3-5-14(9-13)16(19)20/h3-5,9,12,15,17H,6-8,10-11H2,1-2H3,(H,19,20)/t15-/m1/s1