4-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]benzoate

Systemtic Name: 4-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]benzoate Openeye Name: 4-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]benzoate CAS Name: 4-[(2R,5R)-2,5-dimethyl-1-pyrrolidinyl]benzoate IUPAC Name: 4-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]benzoate Traditional Name: 4-[(2R,5R)-2,5-dimethylpyrrolidino]benzoate Formula: C13H16NO2- MolecularWeight: 218.27164

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(N1C2=CC=C(C=C2)C(=O)[O-])C

Isomeric SMILES

C[C@@H]1CC[C@H](N1C2=CC=C(C=C2)C(=O)[O-])C

InChI

InChI=1S/C13H17NO2/c1-9-3-4-10(2)14(9)12-7-5-11(6-8-12)13(15)16/h5-10H,3-4H2,1-2H3,(H,15,16)/p-1/t9-,10-/m1/s1