3-[[(2S,6S)-2,6-dimethylpiperidin-1-yl]methyl]benzoic acid

Systemtic Name: 3-[[(2S,6S)-2,6-dimethylpiperidin-1-yl]methyl]benzoic acid Openeye Name: 3-[[(2S,6S)-2,6-dimethyl-1-piperidyl]methyl]benzoic acid CAS Name: 3-[[(2S,6S)-2,6-dimethyl-1-piperidinyl]methyl]benzoic acid IUPAC Name: 3-[[(2S,6S)-2,6-dimethylpiperidin-1-yl]methyl]benzoic acid Traditional Name: 3-[[(2S,6S)-2,6-dimethylpiperidino]methyl]benzoic acid Formula: C15H21NO2 MolecularWeight: 247.33274

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1CC2=CC=CC(=C2)C(=O)O)C

Isomeric SMILES

C[C@H]1CCC[C@@H](N1CC2=CC=CC(=C2)C(=O)O)C

InChI

InChI=1S/C15H21NO2/c1-11-5-3-6-12(2)16(11)10-13-7-4-8-14(9-13)15(17)18/h4,7-9,11-12H,3,5-6,10H2,1-2H3,(H,17,18)/t11-,12-/m0/s1