[(1R,3R,6S)-3-(methylamino)-6-oxidanyl-cycloheptyl] benzoate

Systemtic Name: [(1R,3R,6S)-3-(methylamino)-6-oxidanyl-cycloheptyl] benzoate Openeye Name: [(1R,3S,6R)-3-hydroxy-6-(methylamino)cycloheptyl] benzoate CAS Name: benzoic acid [(1R,3S,6R)-3-hydroxy-6-(methylamino)cycloheptyl] ester IUPAC Name: [(1R,3S,6R)-3-hydroxy-6-(methylamino)cycloheptyl] benzoate Traditional Name: benzoic acid [(1R,3S,6R)-3-hydroxy-6-(methylamino)cycloheptyl] ester Formula: C15H21NO3 MolecularWeight: 263.33214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1CCC(CC(C1)OC(=O)C2=CC=CC=C2)O

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO3/c1-16-12-7-8-13(17)10-14(9-12)19-15(18)11-5-3-2-4-6-11/h2-6,12-14,16-17H,7-10H2,1H3/t12-,13+,14-/m1/s1