4-[4-[(2S)-butan-2-yl]piperazin-1-yl]benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1CCN(CC1)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC[C@H](C)N1CCN(CC1)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C15H22N2O2/c1-3-12(2)16-8-10-17(11-9-16)14-6-4-13(5-7-14)15(18)19/h4-7,12H,3,8-11H2,1-2H3,(H,18,19)/t12-/m0/s1