3-[4-(2-methylpropyl)piperazin-1-yl]benzoic acid

Systemtic Name: 3-[4-(2-methylpropyl)piperazin-1-yl]benzoic acid Openeye Name: 3-(4-isobutylpiperazin-1-yl)benzoic acid CAS Name: 3-[4-(2-methylpropyl)-1-piperazinyl]benzoic acid IUPAC Name: 3-[4-(2-methylpropyl)piperazin-1-yl]benzoic acid Traditional Name: 3-(4-isobutylpiperazino)benzoic acid Formula: C15H22N2O2 MolecularWeight: 262.34738

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CCN(CC1)C2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CC(C)CN1CCN(CC1)C2=CC=CC(=C2)C(=O)O

InChI

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