2-(8-azabicyclo[3.2.1]octan-3-yl)-3,5-dimethyl-benzoate

Systemtic Name: 2-(8-azabicyclo[3.2.1]octan-3-yl)-3,5-dimethyl-benzoate Openeye Name: 2-(8-azabicyclo[3.2.1]octan-3-yl)-3,5-dimethyl-benzoate CAS Name: 2-(8-azabicyclo[3.2.1]octan-3-yl)-3,5-dimethylbenzoate IUPAC Name: 2-(8-azabicyclo[3.2.1]octan-3-yl)-3,5-dimethylbenzoate Traditional Name: 2-(8-azabicyclo[3.2.1]octan-3-yl)-3,5-dimethyl-benzoate Formula: C16H20NO2- MolecularWeight: 258.3355

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(=O)[O-])C2CC3CCC(C2)N3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C(=O)[O-])C2CC3CCC(C2)N3)C

InChI

InChI=1S/C16H21NO2/c1-9-5-10(2)15(14(6-9)16(18)19)11-7-12-3-4-13(8-11)17-12/h5-6,11-13,17H,3-4,7-8H2,1-2H3,(H,18,19)/p-1