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

Systemtic Name: 3-[(2S)-2-ethylpiperazin-1-yl]benzoic acid Openeye Name: 3-[(2S)-2-ethylpiperazin-1-yl]benzoic acid CAS Name: 3-[(2S)-2-ethyl-1-piperazinyl]benzoic acid IUPAC Name: 3-[(2S)-2-ethylpiperazin-1-yl]benzoic acid Traditional Name: 3-[(2S)-2-ethylpiperazino]benzoic acid Formula: C13H18N2O2 MolecularWeight: 234.29422

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CNCCN1C2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CC[C@H]1CNCCN1C2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C13H18N2O2/c1-2-11-9-14-6-7-15(11)12-5-3-4-10(8-12)13(16)17/h3-5,8,11,14H,2,6-7,9H2,1H3,(H,16,17)/t11-/m0/s1