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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1CN(CCN1)CC2=CC=CC=C2C(=O)O

Isomeric SMILES

CC(C)C[C@H]1CN(CCN1)CC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C16H24N2O2/c1-12(2)9-14-11-18(8-7-17-14)10-13-5-3-4-6-15(13)16(19)20/h3-6,12,14,17H,7-11H2,1-2H3,(H,19,20)/t14-/m0/s1