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

Systemtic Name: 3-[(3S)-3-(2-methylpropyl)piperazin-1-yl]benzoic acid Openeye Name: 3-[(3S)-3-isobutylpiperazin-1-yl]benzoic acid CAS Name: 3-[(3S)-3-(2-methylpropyl)-1-piperazinyl]benzoic acid IUPAC Name: 3-[(3S)-3-(2-methylpropyl)piperazin-1-yl]benzoic acid Traditional Name: 3-[(3S)-3-isobutylpiperazino]benzoic acid Formula: C15H22N2O2 MolecularWeight: 262.34738

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1CN(CCN1)C2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CC(C)C[C@H]1CN(CCN1)C2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C15H22N2O2/c1-11(2)8-13-10-17(7-6-16-13)14-5-3-4-12(9-14)15(18)19/h3-5,9,11,13,16H,6-8,10H2,1-2H3,(H,18,19)/t13-/m0/s1