[(3S,4R)-4-acetyloxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] benzoate

Systemtic Name: [(3S,4R)-4-acetyloxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] benzoate Openeye Name: [(3S,4R)-4-acetoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] benzoate CAS Name: benzoic acid [(3S,4R)-4-acetyloxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester IUPAC Name: [(3S,4R)-4-acetyloxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] benzoate Traditional Name: benzoic acid [(3S,4R)-4-acetoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester Formula: C17H21NO4 MolecularWeight: 303.35294

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C2CCC(N2C)CC1OC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(=O)O[C@H]1[C@H](CC2CCC1N2C)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H21NO4/c1-11(19)21-16-14-9-8-13(18(14)2)10-15(16)22-17(20)12-6-4-3-5-7-12/h3-7,13-16H,8-10H2,1-2H3/t13?,14?,15-,16+/m0/s1