3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-4-methyl-benzoate

Systemtic Name: 3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-4-methyl-benzoate Openeye Name: 3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-4-methyl-benzoate CAS Name: 3-[(2R,5R)-2,5-dimethyl-1-pyrrolidinyl]-4-methylbenzoate IUPAC Name: 3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-4-methylbenzoate Traditional Name: 3-[(2R,5R)-2,5-dimethylpyrrolidino]-4-methyl-benzoate Formula: C14H18NO2- MolecularWeight: 232.29822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO2/c1-9-4-7-12(14(16)17)8-13(9)15-10(2)5-6-11(15)3/h4,7-8,10-11H,5-6H2,1-3H3,(H,16,17)/p-1/t10-,11-/m1/s1