4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]benzoate

Systemtic Name: 4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]benzoate Openeye Name: 4-[(3S,5S)-3,5-dimethyl-1-piperidyl]benzoate CAS Name: 4-[(3S,5S)-3,5-dimethyl-1-piperidinyl]benzoate IUPAC Name: 4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]benzoate Traditional Name: 4-[(3S,5S)-3,5-dimethylpiperidino]benzoate Formula: C14H18NO2- MolecularWeight: 232.29822

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=CC=C(C=C2)C(=O)[O-])C

Isomeric SMILES

C[C@H]1C[C@@H](CN(C1)C2=CC=C(C=C2)C(=O)[O-])C

InChI

InChI=1S/C14H19NO2/c1-10-7-11(2)9-15(8-10)13-5-3-12(4-6-13)14(16)17/h3-6,10-11H,7-9H2,1-2H3,(H,16,17)/p-1/t10-,11-/m0/s1