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

Systemtic Name: 3-[[(2R)-2-ethylpiperazin-1-yl]methyl]benzoic acid Openeye Name: 3-[[(2R)-2-ethylpiperazin-1-yl]methyl]benzoic acid CAS Name: 3-[[(2R)-2-ethyl-1-piperazinyl]methyl]benzoic acid IUPAC Name: 3-[[(2R)-2-ethylpiperazin-1-yl]methyl]benzoic acid Traditional Name: 3-[[(2R)-2-ethylpiperazino]methyl]benzoic acid Formula: C14H20N2O2 MolecularWeight: 248.3208

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CNCCN1CC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CC[C@@H]1CNCCN1CC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C14H20N2O2/c1-2-13-9-15-6-7-16(13)10-11-4-3-5-12(8-11)14(17)18/h3-5,8,13,15H,2,6-7,9-10H2,1H3,(H,17,18)/t13-/m1/s1